3-[4-(3-methylphenyl)pyrimidin-2-yl]benzoic acid

Systemtic Name: 3-[4-(3-methylphenyl)pyrimidin-2-yl]benzoic acid Openeye Name: 3-[4-(m-tolyl)pyrimidin-2-yl]benzoic acid CAS Name: 3-[4-(3-methylphenyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 3-[4-(3-methylphenyl)pyrimidin-2-yl]benzoic acid Traditional Name: 3-[4-(m-tolyl)pyrimidin-2-yl]benzoic acid Formula: C18H14N2O2 MolecularWeight: 290.31596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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