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Indoles and derivatives

Aromatic bicyclic organic compounds that consists of a benzene ring fused to a pyrrole ring with formula: C₈H₇N.

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Thermo Scientific Chemicals Indomethacin

CAS: 53-86-1 Molecular Formula: C19H16ClNO4 Molecular Weight (g/mol): 357.79 InChI Key: CGIGDMFJXJATDK-UHFFFAOYSA-N Synonym: indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon PubChem CID: 3715 ChEBI: CHEBI:49662 IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O

PubChem CID 3715
CAS 53-86-1
Molecular Weight (g/mol) 357.79
ChEBI CHEBI:49662
SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
Synonym indomethacin,indometacin,indocin,indometacine,indomethacine,indocid,metindol,amuno,indomethazine,imbrilon
IUPAC Name 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid
InChI Key CGIGDMFJXJATDK-UHFFFAOYSA-N
Molecular Formula C19H16ClNO4
2
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4',6'-Diamidino-2-phenylindole dihydrochloride, 98%

CAS: 28718-90-3 Molecular Formula: C16H17Cl2N5 Molecular Weight (g/mol): 350.25 MDL Number: MFCD00012681 InChI Key: FPNZBYLXNYPRLR-UHFFFAOYSA-N Synonym: 4',6-diamidino-2-phenylindole dihydrochloride,dapi dihydrochloride,dapi, dihydrochloride,2-4-carbamimidoylphenyl-1h-indole-6-carboximidamide dihydrochloride,dapi hydrochloride,2-phenylindole-4',6-dicarboxamidine dihydrohydrochloride hydrate,2-4-amidinophenyl-6-indolecarbamidine dihydrochloride,4′,6-diamidino-2-phenylindole, 2hcl,ccris 8836 PubChem CID: 160166 SMILES: [H+].[H+].[Cl-].[Cl-].NC(=N)C1=CC=C(C=C1)C1=CC2=CC=C(C=C2N1)C(N)=N

PubChem CID 160166
CAS 28718-90-3
Molecular Weight (g/mol) 350.25
MDL Number MFCD00012681
SMILES [H+].[H+].[Cl-].[Cl-].NC(=N)C1=CC=C(C=C1)C1=CC2=CC=C(C=C2N1)C(N)=N
Synonym 4',6-diamidino-2-phenylindole dihydrochloride,dapi dihydrochloride,dapi, dihydrochloride,2-4-carbamimidoylphenyl-1h-indole-6-carboximidamide dihydrochloride,dapi hydrochloride,2-phenylindole-4',6-dicarboxamidine dihydrohydrochloride hydrate,2-4-amidinophenyl-6-indolecarbamidine dihydrochloride,4′,6-diamidino-2-phenylindole, 2hcl,ccris 8836
InChI Key FPNZBYLXNYPRLR-UHFFFAOYSA-N
Molecular Formula C16H17Cl2N5
3

N-Ethyl-3-carbazolecarboxaldehyde, 94%, Tech.

CAS: 7570-45-8 Molecular Formula: C15H13NO Molecular Weight (g/mol): 223.28 MDL Number: MFCD00004963 InChI Key: QGJXVBICNCIWEL-UHFFFAOYSA-N Synonym: 9-ethyl-9h-carbazole-3-carbaldehyde,n-ethyl-3-carbazolecarboxaldehyde,n-ethylcarbazole-3-carboxaldehyde,3-formyl-n-ethylcarbazole,n-ethylcarbazole-3-carbaldehyde,9-ethyl-3-carbazolecarboxaldehyde,ccris 9052,n-ethyl carbazole-3-aldehyde,n-ethyl-carbazole-3-aldehyde,pubchem9556 PubChem CID: 82055 IUPAC Name: 9-ethylcarbazole-3-carbaldehyde SMILES: CCN1C2=C(C=CC=C2)C2=C1C=CC(C=O)=C2

PubChem CID 82055
CAS 7570-45-8
Molecular Weight (g/mol) 223.28
MDL Number MFCD00004963
SMILES CCN1C2=C(C=CC=C2)C2=C1C=CC(C=O)=C2
Synonym 9-ethyl-9h-carbazole-3-carbaldehyde,n-ethyl-3-carbazolecarboxaldehyde,n-ethylcarbazole-3-carboxaldehyde,3-formyl-n-ethylcarbazole,n-ethylcarbazole-3-carbaldehyde,9-ethyl-3-carbazolecarboxaldehyde,ccris 9052,n-ethyl carbazole-3-aldehyde,n-ethyl-carbazole-3-aldehyde,pubchem9556
IUPAC Name 9-ethylcarbazole-3-carbaldehyde
InChI Key QGJXVBICNCIWEL-UHFFFAOYSA-N
Molecular Formula C15H13NO
4
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Thermo Scientific Chemicals Melatonine, 99%

CAS: 73-31-4 Molecular Formula: C13H16N2O2 Molecular Weight (g/mol): 232.28 MDL Number: MFCD00005655 InChI Key: DRLFMBDRBRZALE-UHFFFAOYSA-N Synonym: melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine PubChem CID: 896 ChEBI: CHEBI:16796 IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

PubChem CID 896
CAS 73-31-4
Molecular Weight (g/mol) 232.28
ChEBI CHEBI:16796
MDL Number MFCD00005655
SMILES CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC
Synonym melatonin,melatonine,n-acetyl-5-methoxytryptamine,circadin,5-methoxy-n-acetyltryptamine,n-2-5-methoxy-1h-indol-3-yl ethyl acetamide,melatol,melatonex,melovine
IUPAC Name N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
InChI Key DRLFMBDRBRZALE-UHFFFAOYSA-N
Molecular Formula C13H16N2O2
5

2-Phenylindole, 98%, Thermo Scientific Chemicals

CAS: 948-65-2 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.25 MDL Number: MFCD00005608 InChI Key: KLLLJCACIRKBDT-UHFFFAOYSA-N Synonym: 2-phenylindole,1h-indole, 2-phenyl,indole, 2-phenyl,stabilizer i,alpha-phenylindole,2-phenyl indole,phenylindole,unii-mqd44hv3p1,.alpha.-phenylindole,mqd44hv3p1 PubChem CID: 13698 IUPAC Name: 2-phenyl-1H-indole SMILES: C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2

PubChem CID 13698
CAS 948-65-2
Molecular Weight (g/mol) 193.25
MDL Number MFCD00005608
SMILES C1=CC=C(C=C1)C2=CC3=CC=CC=C3N2
Synonym 2-phenylindole,1h-indole, 2-phenyl,indole, 2-phenyl,stabilizer i,alpha-phenylindole,2-phenyl indole,phenylindole,unii-mqd44hv3p1,.alpha.-phenylindole,mqd44hv3p1
IUPAC Name 2-phenyl-1H-indole
InChI Key KLLLJCACIRKBDT-UHFFFAOYSA-N
Molecular Formula C14H11N
6
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Thermo Scientific Chemicals Staurosporine, 98%

CAS: 62996-74-1 Molecular Formula: C28H26N4O3 Molecular Weight (g/mol): 466.5 MDL Number: MFCD00077402 InChI Key: HKSZLNNOFSGOKW-ZYSRIHRCSA-N Synonym: staurosporine,kinome_3629 PubChem CID: 49831000 SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

PubChem CID 49831000
CAS 62996-74-1
Molecular Weight (g/mol) 466.5
MDL Number MFCD00077402
SMILES CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
Synonym staurosporine,kinome_3629
InChI Key HKSZLNNOFSGOKW-ZYSRIHRCSA-N
Molecular Formula C28H26N4O3
7
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Ondansetron hydrochloride dihydrate, 98%

CAS: 103639-04-9 Molecular Formula: HCl·2H2O Molecular Weight (g/mol): 365.85 InChI Key: BGGIFKYQGVGSIW-UHFFFAOYSA-N Synonym: 1,2,3,9-tetrahydro-9-methyl-3-2-methyl-1h-imidazol-1-yl methyl-4h-carbazol-4-one hydrochloride; gr 38032f; ondansetron hydrochloride PubChem CID: 71317260 IUPAC Name: chlorine;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate SMILES: CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.[Cl]

PubChem CID 71317260
CAS 103639-04-9
Molecular Weight (g/mol) 365.85
SMILES CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.O.O.[Cl]
Synonym 1,2,3,9-tetrahydro-9-methyl-3-2-methyl-1h-imidazol-1-yl methyl-4h-carbazol-4-one hydrochloride; gr 38032f; ondansetron hydrochloride
IUPAC Name chlorine;9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-one;dihydrate
InChI Key BGGIFKYQGVGSIW-UHFFFAOYSA-N
Molecular Formula HCl·2H2O
8

Tetrahydro-beta-carboline, 98%

CAS: 16502-01-5 Molecular Formula: C11H13ClN2 Molecular Weight (g/mol): 208.69 MDL Number: MFCD00004954 InChI Key: PHLJRXUBLWEPCM-UHFFFAOYSA-N Synonym: tryptoline,2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole,noreleagnine,1,2,3,4-tetrahydro-9h-pyrido 3,4-b indole,1,2,3,4-tetrahydro-beta-carboline,tetrahydro-beta-carboline,thbc,tetrahydronorharman,unii-65027tmi0h,1h,2h,3h,4h,9h-pyrido 3,4-b indole PubChem CID: 107838 IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole SMILES: [H+].[Cl-].C1CC2=C(CN1)NC1=CC=CC=C21

PubChem CID 107838
CAS 16502-01-5
Molecular Weight (g/mol) 208.69
MDL Number MFCD00004954
SMILES [H+].[Cl-].C1CC2=C(CN1)NC1=CC=CC=C21
Synonym tryptoline,2,3,4,9-tetrahydro-1h-pyrido 3,4-b indole,noreleagnine,1,2,3,4-tetrahydro-9h-pyrido 3,4-b indole,1,2,3,4-tetrahydro-beta-carboline,tetrahydro-beta-carboline,thbc,tetrahydronorharman,unii-65027tmi0h,1h,2h,3h,4h,9h-pyrido 3,4-b indole
IUPAC Name 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
InChI Key PHLJRXUBLWEPCM-UHFFFAOYSA-N
Molecular Formula C11H13ClN2
9
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1H-Indole-3-acetic acid, 98%

CAS: 87-51-4 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00005636 InChI Key: SEOVTRFCIGRIMH-UHFFFAOYSA-N Synonym: indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a PubChem CID: 802 ChEBI: CHEBI:16411 IUPAC Name: 2-(1H-indol-3-yl)acetic acid SMILES: OC(=O)CC1=CNC2=CC=CC=C12

PubChem CID 802
CAS 87-51-4
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:16411
MDL Number MFCD00005636
SMILES OC(=O)CC1=CNC2=CC=CC=C12
Synonym indole-3-acetic acid,3-indoleacetic acid,heteroauxin,indoleacetic acid,1h-indole-3-acetic acid,2-1h-indol-3-yl acetic acid,rhizopin,1h-indol-3-ylacetic acid,indol-3-ylacetic acid,rhizopon a
IUPAC Name 2-(1H-indol-3-yl)acetic acid
InChI Key SEOVTRFCIGRIMH-UHFFFAOYSA-N
Molecular Formula C10H9NO2
10

6-Hydroxyindole, 97%

CAS: 2380-86-1 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 InChI Key: XAWPKHNOFIWWNZ-UHFFFAOYSA-N Synonym: 6-hydroxyindole,6-indolol,indolol,6-hydroxy indole,unii-3i03jz599t,6-hydroxy-1h-indole,6hydroxyindole,6-hydroxy-indole,indol-6-ol,1h-indole-6-ol PubChem CID: 524508 IUPAC Name: 1H-indol-6-ol SMILES: C1=CC(=CC2=C1C=CN2)O

PubChem CID 524508
CAS 2380-86-1
Molecular Weight (g/mol) 133.15
SMILES C1=CC(=CC2=C1C=CN2)O
Synonym 6-hydroxyindole,6-indolol,indolol,6-hydroxy indole,unii-3i03jz599t,6-hydroxy-1h-indole,6hydroxyindole,6-hydroxy-indole,indol-6-ol,1h-indole-6-ol
IUPAC Name 1H-indol-6-ol
InChI Key XAWPKHNOFIWWNZ-UHFFFAOYSA-N
Molecular Formula C8H7NO
11

Thermo Scientific Chemicals Evodiamine, 98%

CAS: 518-17-2 Molecular Formula: C19H17N3O Molecular Weight (g/mol): 303.37 MDL Number: MFCD06407824 InChI Key: TXDUTHBFYKGSAH-SFHVURJKSA-N Synonym: evodiamine,+-evodiamine,unii-c01825bvnl,evodiamine, evodia rutaecarpa,d-evodiamine,evodiamine, +,s-14-methyl-8,13,13b,14-tetrahydroindolo 2',3':3,4 pyrido 2,1-b quinazolin-5 7h-one,pubchem18244,indolo 2',3':3,4 pyrido 2,1-b quinazolin-5 7h-one, 8,13,13b,14-tetrahydro-14-methyl-, 13bs,13bs-14-methyl-8,13,13b,14-tetrahydroindolo 2',3':3,4 pyrido 2,1-b quinazolin-5 7h-one PubChem CID: 442088 ChEBI: CHEBI:4948 IUPAC Name: (1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one SMILES: CN1[C@H]2N(CCC3=C2NC2=CC=CC=C32)C(=O)C2=CC=CC=C12

PubChem CID 442088
CAS 518-17-2
Molecular Weight (g/mol) 303.37
ChEBI CHEBI:4948
MDL Number MFCD06407824
SMILES CN1[C@H]2N(CCC3=C2NC2=CC=CC=C32)C(=O)C2=CC=CC=C12
Synonym evodiamine,+-evodiamine,unii-c01825bvnl,evodiamine, evodia rutaecarpa,d-evodiamine,evodiamine, +,s-14-methyl-8,13,13b,14-tetrahydroindolo 2',3':3,4 pyrido 2,1-b quinazolin-5 7h-one,pubchem18244,indolo 2',3':3,4 pyrido 2,1-b quinazolin-5 7h-one, 8,13,13b,14-tetrahydro-14-methyl-, 13bs,13bs-14-methyl-8,13,13b,14-tetrahydroindolo 2',3':3,4 pyrido 2,1-b quinazolin-5 7h-one
IUPAC Name (1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
InChI Key TXDUTHBFYKGSAH-SFHVURJKSA-N
Molecular Formula C19H17N3O
13

Indole-3-carbinol, 97%

CAS: 700-06-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00005632 InChI Key: IVYPNXXAYMYVSP-UHFFFAOYSA-N Synonym: indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol PubChem CID: 3712 ChEBI: CHEBI:24814 IUPAC Name: 1H-indol-3-ylmethanol SMILES: C1=CC=C2C(=C1)C(=CN2)CO

PubChem CID 3712
CAS 700-06-1
Molecular Weight (g/mol) 147.18
ChEBI CHEBI:24814
MDL Number MFCD00005632
SMILES C1=CC=C2C(=C1)C(=CN2)CO
Synonym indole-3-carbinol,3-indolemethanol,1h-indol-3-yl methanol,indole-3-methanol,1h-indole-3-methanol,3-hydroxymethylindole,3-indolylcarbinol,indinol,3-indole methanol,indole 3 carbinol
IUPAC Name 1H-indol-3-ylmethanol
InChI Key IVYPNXXAYMYVSP-UHFFFAOYSA-N
Molecular Formula C9H9NO
14

Paxilline, 97+%, Thermo Scientific Chemicals

CAS: 57186-25-1 Molecular Formula: C27H33NO4 Molecular Weight (g/mol): 435.564 MDL Number: MFCD00083464 InChI Key: ACNHBCIZLNNLRS-UBGQALKQSA-N Synonym: paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one PubChem CID: 105008 ChEBI: CHEBI:34907 SMILES: CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O

PubChem CID 105008
CAS 57186-25-1
Molecular Weight (g/mol) 435.564
ChEBI CHEBI:34907
MDL Number MFCD00083464
SMILES CC12CCC3C(=CC(=O)C(O3)C(C)(C)O)C1(CCC4C2(C5=C(C4)C6=CC=CC=C6N5)C)O
Synonym paxilline,unii-3t9u9z96l7,2h-1-benzopyrano 5',6':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2-alpha,4b-beta,6a-alpha,12b-beta,12c-alpha,14a-beta,2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one, 5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-, 2r,4bs,6as,12bs,12cr,14as,spectrum5_001975,paxilline, powder hplc,paxilline solution, 100 mug/ml in acetonitrile, analytical standard,2r,4bs,6as,12bs,12cr,14as-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-4b-hydroxy-2-1-hydroxy-1-methylethyl-12b,12c-dimethyl-2h-pyrano 2,3:5',6' benz 1',2':6,7 indeno 1,2-b indol-3 4bh-one,ncgc00025342-07_c27h33no4_ 2r,4bs,6as,12bs,12cr,14as-4b-hydroxy-2-2-hydroxy-2-propanyl-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2h-chromeno 5',6':6,7 indeno 1,2-b indol-3 4bh-one
InChI Key ACNHBCIZLNNLRS-UBGQALKQSA-N
Molecular Formula C27H33NO4
15

3-Indolepropionic acid, 99%

CAS: 830-96-6 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005660 InChI Key: GOLXRNDWAUTYKT-UHFFFAOYSA-N Synonym: 3-indolepropionic acid,indole-3-propionic acid,3-1h-indol-3-yl propanoic acid,1h-indole-3-propanoic acid,indolepropionic acid,indolylpropionic acid,3-3-indolyl propionic acid,3-3-indolyl propanoic acid,ipa auxin,1h-indole-3-propionic acid PubChem CID: 3744 ChEBI: CHEBI:43580 IUPAC Name: 3-(1H-indol-3-yl)propanoic acid SMILES: OC(=O)CCC1=CNC2=CC=CC=C12

PubChem CID 3744
CAS 830-96-6
Molecular Weight (g/mol) 189.21
ChEBI CHEBI:43580
MDL Number MFCD00005660
SMILES OC(=O)CCC1=CNC2=CC=CC=C12
Synonym 3-indolepropionic acid,indole-3-propionic acid,3-1h-indol-3-yl propanoic acid,1h-indole-3-propanoic acid,indolepropionic acid,indolylpropionic acid,3-3-indolyl propionic acid,3-3-indolyl propanoic acid,ipa auxin,1h-indole-3-propionic acid
IUPAC Name 3-(1H-indol-3-yl)propanoic acid
InChI Key GOLXRNDWAUTYKT-UHFFFAOYSA-N
Molecular Formula C11H11NO2