[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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