3-[6-(4-methylphenyl)pyrimidin-4-yl]benzoic acid

Systemtic Name: 3-[6-(4-methylphenyl)pyrimidin-4-yl]benzoic acid Openeye Name: 3-[6-(p-tolyl)pyrimidin-4-yl]benzoic acid CAS Name: 3-[6-(4-methylphenyl)-4-pyrimidinyl]benzoic acid IUPAC Name: 3-[6-(4-methylphenyl)pyrimidin-4-yl]benzoic acid Traditional Name: 3-[6-(p-tolyl)pyrimidin-4-yl]benzoic acid Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC=N2)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC=N2)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C18H14N2O2/c1-12-5-7-13(8-6-12)16-10-17(20-11-19-16)14-3-2-4-15(9-14)18(21)22/h2-11H,1H3,(H,21,22)