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

Systemtic Name: (3R)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Openeye Name: (3R)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate CAS Name: (3R)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]nipecotate Formula: C19H19F3N3O2- MolecularWeight: 378.36827

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCCC(C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC[C@H](C3)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2/c1-2-12-5-7-13(8-6-12)15-10-16(19(20,21)22)24-18(23-15)25-9-3-4-14(11-25)17(26)27/h5-8,10,14H,2-4,9,11H2,1H3,(H,26,27)/p-1/t14-/m1/s1