3-[4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]benzoic acid

Systemtic Name: 3-[4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]benzoic acid Openeye Name: 3-[4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]benzoic acid CAS Name: 3-[4-methyl-6-[4-(trifluoromethyl)phenyl]-2-pyrimidinyl]benzoic acid IUPAC Name: 3-[4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]benzoic acid Traditional Name: 3-[4-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-yl]benzoic acid Formula: C19H13F3N2O2 MolecularWeight: 358.31393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C19H13F3N2O2/c1-11-9-16(12-5-7-15(8-6-12)19(20,21)22)24-17(23-11)13-3-2-4-14(10-13)18(25)26/h2-10H,1H3,(H,25,26)