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

Systemtic Name: (3R)-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]nipecotic acid Formula: C17H16F3N3O2 MolecularWeight: 351.32305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O2/c18-17(19,20)14-9-13(11-5-2-1-3-6-11)21-16(22-14)23-8-4-7-12(10-23)15(24)25/h1-3,5-6,9,12H,4,7-8,10H2,(H,24,25)/t12-/m1/s1