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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxo-1-phenylethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H24F3N3O3 MolecularWeight: 435.43947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3N3O3/c1-27(2)20(29)19(15-6-4-3-5-7-15)31-21(30)16-10-12-28(13-11-16)18-9-8-17(14-26-18)22(23,24)25/h3-9,14,16,19H,10-13H2,1-2H3