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

Systemtic Name: 1-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid CAS Name: 1-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]oxymethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]oxymethyl]pyrazole-3-carboxylic acid Formula: C17H13F3N4O4 MolecularWeight: 394.30473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)O)C(F)(F)F

Isomeric SMILES

COC1=CC=CC=C1C2=CC(=NC(=N2)OCN3C=CC(=N3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O4/c1-27-13-5-3-2-4-10(13)12-8-14(17(18,19)20)22-16(21-12)28-9-24-7-6-11(23-24)15(25)26/h2-8H,9H2,1H3,(H,25,26)