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

Systemtic Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C18H17F3N3O3- MolecularWeight: 380.34109

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3/c1-27-14-5-3-2-4-12(14)13-10-15(18(19,20)21)23-17(22-13)24-8-6-11(7-9-24)16(25)26/h2-5,10-11H,6-9H2,1H3,(H,25,26)/p-1