3-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]benzoic acid

Systemtic Name: 3-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]benzoic acid Openeye Name: 3-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]benzoic acid CAS Name: 3-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]benzoic acid IUPAC Name: 3-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid Traditional Name: 3-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]benzoic acid Formula: C18H13FN2O2 MolecularWeight: 308.306423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)F)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H13FN2O2/c1-11-10-20-17(13-3-2-4-14(9-13)18(22)23)21-16(11)12-5-7-15(19)8-6-12/h2-10H,1H3,(H,22,23)