ethyl 1-pyridin-4-ylcarbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-pyridin-4-ylcarbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(pyridine-4-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[oxo(pyridin-4-yl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyridine-4-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-isonicotinoyl-4-[2-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C22H23F3N2O3 MolecularWeight: 420.42483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=NC=C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC=NC=C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H23F3N2O3/c1-2-30-20(29)21(15-17-5-3-4-6-18(17)22(23,24)25)9-13-27(14-10-21)19(28)16-7-11-26-12-8-16/h3-8,11-12H,2,9-10,13-15H2,1H3