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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2)OC

InChI

InChI=1S/C21H22N2O5/c1-26-18-10-9-16(13-19(18)27-2)14-21(25)28-15-20(24)23(12-6-11-22)17-7-4-3-5-8-17/h3-5,7-10,13H,6,12,14-15H2,1-2H3