1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-ethyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-ethyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-ethylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-ethyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C21H23F3N2O2 MolecularWeight: 392.41473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

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