[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [(2R)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylpropan-2-yl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [(1R)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

C[C@H](C(=O)C1=CC=CC=C1)OC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3/c1-14(19(27)15-5-3-2-4-6-15)29-20(28)16-9-11-26(12-10-16)18-8-7-17(13-25-18)21(22,23)24/h2-8,13-14,16H,9-12H2,1H3/t14-/m1/s1