1-[(3-methylpyridin-4-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-[4-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O2/c1-13-11-24-9-8-17(13)18(25-10-2-3-15(12-25)19(26)27)14-4-6-16(7-5-14)20(21,22)23/h4-9,11,15,18H,2-3,10,12H2,1H3,(H,26,27)