(3R)-1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: (3R)-1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: (3R)-1-[4-(4-methylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-(p-tolyl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotate Formula: C18H17F3N3O2- MolecularWeight: 364.34169

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCCC(C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC[C@H](C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H18F3N3O2/c1-11-4-6-12(7-5-11)14-9-15(18(19,20)21)23-17(22-14)24-8-2-3-13(10-24)16(25)26/h4-7,9,13H,2-3,8,10H2,1H3,(H,25,26)/p-1/t13-/m1/s1