1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotic acid Formula: C19H20F3N3O2 MolecularWeight: 379.37621

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2/c1-2-12-3-5-13(6-4-12)15-11-16(19(20,21)22)24-18(23-15)25-9-7-14(8-10-25)17(26)27/h3-6,11,14H,2,7-10H2,1H3,(H,26,27)