[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(phenylcarbonyl)benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-benzoylbenzoate CAS Name: 4-benzoylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-benzoylbenzoate Traditional Name: 4-benzoylbenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4/c23-15-22(12-4-5-13-22)24-19(25)14-28-21(27)18-10-8-17(9-11-18)20(26)16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-14H2,(H,24,25)