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

Systemtic Name: ethyl 1-[[5-(4-fluoranyl-3-methyl-phenyl)pyridin-3-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[5-(4-fluoro-3-methyl-phenyl)-3-pyridyl]methyl]piperidine-3-carboxylate CAS Name: 1-[[5-(4-fluoro-3-methylphenyl)-3-pyridinyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(4-fluoro-3-methylphenyl)pyridin-3-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[5-(4-fluoro-3-methyl-phenyl)-3-pyridyl]methyl]nipecotic acid ethyl ester Formula: C21H25FN2O2 MolecularWeight: 356.433803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O2/c1-3-26-21(25)18-5-4-8-24(14-18)13-16-10-19(12-23-11-16)17-6-7-20(22)15(2)9-17/h6-7,9-12,18H,3-5,8,13-14H2,1-2H3