ethyl 1-[[5-[3-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-[3-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-[3-(trifluoromethyl)phenyl]-3-pyridyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-[3-(trifluoromethyl)phenyl]pyridin-3-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-[3-(trifluoromethyl)phenyl]-3-pyridyl]methyl]isonipecotic acid ethyl ester Formula: C21H23F3N2O2 MolecularWeight: 392.41473

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CN=CC(=C2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CN=CC(=C2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O2/c1-2-28-20(27)16-6-8-26(9-7-16)14-15-10-18(13-25-12-15)17-4-3-5-19(11-17)21(22,23)24/h3-5,10-13,16H,2,6-9,14H2,1H3