4-azanyl-3-[[[3-(1-methylindol-3-yl)-2-oxidanyl-propanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-azanyl-3-[[[3-(1-methylindol-3-yl)-2-oxidanyl-propanoyl]amino]methyl]benzoic acid Openeye Name: 4-amino-3-[[[2-hydroxy-3-(1-methylindol-3-yl)propanoyl]amino]methyl]benzoic acid CAS Name: 4-amino-3-[[[2-hydroxy-3-(1-methyl-3-indolyl)-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-amino-3-[[[2-hydroxy-3-(1-methylindol-3-yl)propanoyl]amino]methyl]benzoic acid Traditional Name: 4-amino-3-[[[2-hydroxy-3-(1-methylindol-3-yl)propanoyl]amino]methyl]benzoic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC(C(=O)NCC3=C(C=CC(=C3)C(=O)O)N)O

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC(C(=O)NCC3=C(C=CC(=C3)C(=O)O)N)O

InChI

InChI=1S/C20H21N3O4/c1-23-11-14(15-4-2-3-5-17(15)23)9-18(24)19(25)22-10-13-8-12(20(26)27)6-7-16(13)21/h2-8,11,18,24H,9-10,21H2,1H3,(H,22,25)(H,26,27)