1-[(3-methylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-2-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-2-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H21F3N2O2/c1-13-6-4-10-24-17(13)18(25-11-5-7-14(12-25)19(26)27)15-8-2-3-9-16(15)20(21,22)23/h2-4,6,8-10,14,18H,5,7,11-12H2,1H3,(H,26,27)