1-[(3-methylpyridin-4-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methylpyridin-4-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methyl-4-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methyl-4-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylpyridin-4-yl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methyl-4-pyridyl)-[2-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

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