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

Systemtic Name: [2-[2-cyanoethyl-(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylphenyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-oxo-ethyl] 2-(p-tolyl)acetate CAS Name: 2-(4-methylphenyl)acetic acid [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-(4-methylphenyl)acetate Traditional Name: 2-(p-tolyl)acetic acid [2-[N-(2-cyanoethyl)-4-methyl-anilino]-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-16-4-8-18(9-5-16)14-21(25)26-15-20(24)23(13-3-12-22)19-10-6-17(2)7-11-19/h4-11H,3,13-15H2,1-2H3