[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-phenylphenyl)butanoate CAS Name: 4-oxo-4-(4-phenylphenyl)butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate Traditional Name: 4-keto-4-(4-phenylphenyl)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c26-18-25(15-5-2-6-16-25)27-23(29)17-31-24(30)14-13-22(28)21-11-9-20(10-12-21)19-7-3-1-4-8-19/h1,3-4,7-12H,2,5-6,13-17H2,(H,27,29)