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

Systemtic Name: 1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C18H17F3N3O2- MolecularWeight: 364.34169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2/c1-11-2-4-12(5-3-11)14-10-15(18(19,20)21)23-17(22-14)24-8-6-13(7-9-24)16(25)26/h2-5,10,13H,6-9H2,1H3,(H,25,26)/p-1