[2-(trifluoromethyl)phenyl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid [2-(trifluoromethyl)benzyl] ester Formula: C20H18F3N3O2 MolecularWeight: 389.37103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC=C2C(F)(F)F)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC=C2C(F)(F)F)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)17-4-2-1-3-16(17)13-28-19(27)15-7-9-26(10-8-15)18-6-5-14(11-24)12-25-18/h1-6,12,15H,7-10,13H2