[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(1H-indol-3-yl)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H19N3O3/c22-12-13-24(17-6-2-1-3-7-17)20(25)15-27-21(26)11-10-16-14-23-19-9-5-4-8-18(16)19/h1-9,14,23H,10-11,13,15H2