(2-naphthalen-2-yl-2-oxidanylidene-ethyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-naphthalen-2-yl-2-oxidanylidene-ethyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(2-naphthyl)-2-oxo-ethyl] 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(2-naphthalenyl)-2-oxoethyl] ester IUPAC Name: (2-naphthalen-2-yl-2-oxoethyl) 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-keto-2-(2-naphthyl)ethyl] ester Formula: C24H21N3O3 MolecularWeight: 399.44184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC3=CC=CC=C3C=C2)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C24H21N3O3/c25-14-17-5-8-23(26-15-17)27-11-9-19(10-12-27)24(29)30-16-22(28)21-7-6-18-3-1-2-4-20(18)13-21/h1-8,13,15,19H,9-12,16H2