[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-phenylphenyl)butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-oxo-4-(4-phenylphenyl)butanoate CAS Name: 4-oxo-4-(4-phenylphenyl)butanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate Traditional Name: 4-keto-4-(4-phenylphenyl)butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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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)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c22-13-4-14-23-20(25)15-27-21(26)12-11-19(24)18-9-7-17(8-10-18)16-5-2-1-3-6-16/h1-3,5-10H,4,11-12,14-15H2,(H,23,25)