1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C17H14F4N3O2- MolecularWeight: 368.305573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H15F4N3O2/c18-12-3-1-10(2-4-12)13-9-14(17(19,20)21)23-16(22-13)24-7-5-11(6-8-24)15(25)26/h1-4,9,11H,5-8H2,(H,25,26)/p-1