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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-acetamidophenyl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(4-acetamidophenyl)acetate CAS Name: 2-(4-acetamidophenyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate Traditional Name: 2-(4-acetamidophenyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C21H21N3O4/c1-16(25)23-18-10-8-17(9-11-18)14-21(27)28-15-20(26)24(13-5-12-22)19-6-3-2-4-7-19/h2-4,6-11H,5,13-15H2,1H3,(H,23,25)