[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-26-19-11-8-17(9-12-19)10-13-21(25)27-16-20(24)23(15-5-14-22)18-6-3-2-4-7-18/h2-4,6-9,11-12H,5,10,13,15-16H2,1H3