(2-piperidin-1-ylphenyl) 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: (2-piperidin-1-ylphenyl) 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(1-piperidyl)phenyl] 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid [2-(1-piperidinyl)phenyl] ester IUPAC Name: (2-piperidin-1-ylphenyl) 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]isonipecotic acid (2-piperidinophenyl) ester Formula: C22H25F3N4O2 MolecularWeight: 434.45471

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2OC(=O)C3CCN(CC3)C4=NC=CC(=N4)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2OC(=O)C3CCN(CC3)C4=NC=CC(=N4)C(F)(F)F

InChI

InChI=1S/C22H25F3N4O2/c23-22(24,25)19-8-11-26-21(27-19)29-14-9-16(10-15-29)20(30)31-18-7-3-2-6-17(18)28-12-4-1-5-13-28/h2-3,6-8,11,16H,1,4-5,9-10,12-15H2