2-[(3,5-dimethylphenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[(3,5-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[(3,5-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(3,5-dimethylbenzoyl)amino]-3-(1H-indol-3-yl)propionic acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-12-7-13(2)9-14(8-12)19(23)22-18(20(24)25)10-15-11-21-17-6-4-3-5-16(15)17/h3-9,11,18,21H,10H2,1-2H3,(H,22,23)(H,24,25)