3-(1H-indol-3-yl)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-methyl-3-oxidanyl-phenyl)carbonylamino]propanoic acid Openeye Name: 2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(3-hydroxy-4-methylphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(3-hydroxy-4-methylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(3-hydroxy-4-methyl-benzoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O

InChI

InChI=1S/C19H18N2O4/c1-11-6-7-12(9-17(11)22)18(23)21-16(19(24)25)8-13-10-20-15-5-3-2-4-14(13)15/h2-7,9-10,16,20,22H,8H2,1H3,(H,21,23)(H,24,25)