1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid

Systemtic Name: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Openeye Name: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid CAS Name: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylic acid Traditional Name: 1-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]isonipecotic acid Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CCC(CC3)C(=O)O)C(F)(F)F

InChI

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