methyl 4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]-2-[(phenylmethylidene)amino]butanoate

Systemtic Name: methyl 4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]-2-[(phenylmethylidene)amino]butanoate Openeye Name: methyl 2-(benzylideneamino)-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butanoate CAS Name: 4-cyano-2-[[1-(2-cyanoethyl)-3-indolyl]methyl]-2-[(phenylmethylene)amino]butanoic acid methyl ester IUPAC Name: methyl 2-(benzylideneamino)-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butanoate Traditional Name: 2-(benzalamino)-4-cyano-2-[[1-(2-cyanoethyl)indol-3-yl]methyl]butyric acid methyl ester Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC#N)(CC1=CN(C2=CC=CC=C21)CCC#N)N=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCC#N)(CC1=CN(C2=CC=CC=C21)CCC#N)N=CC3=CC=CC=C3

InChI

InChI=1S/C25H24N4O2/c1-31-24(30)25(13-7-14-26,28-18-20-9-3-2-4-10-20)17-21-19-29(16-8-15-27)23-12-6-5-11-22(21)23/h2-6,9-12,18-19H,7-8,13,16-17H2,1H3