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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CN=CC(=C2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CN=CC(=C2)C3=CC(=CC=C3)C(F)(F)F

InChI

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