4-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[4-(p-tolyl)pyrimidin-2-yl]benzoic acid CAS Name: 4-[4-(4-methylphenyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[4-(p-tolyl)pyrimidin-2-yl]benzoic acid Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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