[2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-(4-benzamidophenyl)-2-oxidanylidene-ethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(4-benzamidophenyl)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(4-benzamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-benzamidophenyl)-2-oxoethyl] 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(4-benzamidophenyl)-2-keto-ethyl] ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C27H24N4O4/c28-16-19-6-11-25(29-17-19)31-14-12-22(13-15-31)27(34)35-18-24(32)20-7-9-23(10-8-20)30-26(33)21-4-2-1-3-5-21/h1-11,17,22H,12-15,18H2,(H,30,33)