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

Systemtic Name: (3R)-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid Openeye Name: (3R)-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid CAS Name: (3R)-1-[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylic acid IUPAC Name: (3R)-1-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid Traditional Name: (3R)-1-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotic acid Formula: C15H14F3N3O2S MolecularWeight: 357.35077

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C(=O)O

Isomeric SMILES

C1C[C@H](CN(C1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)C(=O)O

InChI

InChI=1S/C15H14F3N3O2S/c16-15(17,18)12-7-10(11-4-2-6-24-11)19-14(20-12)21-5-1-3-9(8-21)13(22)23/h2,4,6-7,9H,1,3,5,8H2,(H,22,23)/t9-/m1/s1