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

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid Openeye Name: 3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid CAS Name: 3-[4-(3,4-dimethoxyphenyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid Traditional Name: 3-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]benzoic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=NC=C2)C3=CC(=CC=C3)C(=O)O)OC

InChI

InChI=1S/C19H16N2O4/c1-24-16-7-6-12(11-17(16)25-2)15-8-9-20-18(21-15)13-4-3-5-14(10-13)19(22)23/h3-11H,1-2H3,(H,22,23)