[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)CCC2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C21H22N2O3/c1-14-9-15(2)11-17(10-14)23-20(24)13-26-21(25)8-7-16-12-22-19-6-4-3-5-18(16)19/h3-6,9-12,22H,7-8,13H2,1-2H3,(H,23,24)