ethyl 1-(pyridin-3-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(pyridin-3-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-pyridylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(3-pyridinylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(pyridin-3-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(3-pyridylmethyl)-4-[2-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C22H25F3N2O2 MolecularWeight: 406.44131

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CN=CC=C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CN=CC=C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H25F3N2O2/c1-2-29-20(28)21(14-18-7-3-4-8-19(18)22(23,24)25)9-12-27(13-10-21)16-17-6-5-11-26-15-17/h3-8,11,15H,2,9-10,12-14,16H2,1H3