[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-phenylphenyl)butanoate CAS Name: 4-oxo-4-(4-phenylphenyl)butanoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate Traditional Name: 4-keto-4-(4-phenylphenyl)butyric acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H22N2O4/c1-24(15-5-14-23)21(26)16-28-22(27)13-12-20(25)19-10-8-18(9-11-19)17-6-3-2-4-7-17/h2-4,6-11H,5,12-13,15-16H2,1H3