[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-oxo-4-(4-phenylphenyl)butanoate CAS Name: 4-oxo-4-(4-phenylphenyl)butanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate Traditional Name: 4-keto-4-(4-phenylphenyl)butyric acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C26H22N2O4/c27-17-16-19-6-12-23(13-7-19)28-25(30)18-32-26(31)15-14-24(29)22-10-8-21(9-11-22)20-4-2-1-3-5-20/h1-13H,14-16,18H2,(H,28,30)