(3R)-1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid

Systemtic Name: (3R)-1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotic acid Formula: C17H15F4N3O2 MolecularWeight: 369.313513

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C17H15F4N3O2/c18-12-5-3-10(4-6-12)13-8-14(17(19,20)21)23-16(22-13)24-7-1-2-11(9-24)15(25)26/h3-6,8,11H,1-2,7,9H2,(H,25,26)/t11-/m1/s1