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

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C21H21F3N2O4 MolecularWeight: 422.39765

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O4/c1-29-18-5-3-2-4-16(18)17(27)13-30-20(28)14-8-10-26(11-9-14)19-7-6-15(12-25-19)21(22,23)24/h2-7,12,14H,8-11,13H2,1H3