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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-15-8-9-17(12-16(15)2)13-20(24)25-14-19(23)22(11-10-21)18-6-4-3-5-7-18/h3-9,12H,11,13-14H2,1-2H3