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

Systemtic Name: 3-[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]benzoic acid Openeye Name: 3-[4-(4-isopropylphenyl)pyrimidin-2-yl]benzoic acid CAS Name: 3-[4-(4-propan-2-ylphenyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 3-[4-(4-propan-2-ylphenyl)pyrimidin-2-yl]benzoic acid Traditional Name: 3-(4-p-cumenylpyrimidin-2-yl)benzoic acid Formula: C20H18N2O2 MolecularWeight: 318.36912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O2/c1-13(2)14-6-8-15(9-7-14)18-10-11-21-19(22-18)16-4-3-5-17(12-16)20(23)24/h3-13H,1-2H3,(H,23,24)