[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O6/c1-17(24(29)26(15-7-14-25)19-8-5-4-6-9-19)32-23(28)13-11-20(27)18-10-12-21(30-2)22(16-18)31-3/h4-6,8-10,12,16-17H,7,11,13,15H2,1-3H3