[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-oxo-4-(p-tolyl)butanoate CAS Name: 4-(4-methylphenyl)-4-oxobutanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(p-tolyl)butyric acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H22N2O4/c1-17-8-10-18(11-9-17)20(25)12-13-22(27)28-16-21(26)24(15-5-14-23)19-6-3-2-4-7-19/h2-4,6-11H,5,12-13,15-16H2,1H3