4-[2-(4-tert-butylphenyl)pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-(4-tert-butylphenyl)pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-(4-tert-butylphenyl)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-(4-tert-butylphenyl)-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(4-tert-butylphenyl)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-(4-tert-butylphenyl)pyrimidin-4-yl]benzoic acid Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O2/c1-21(2,3)17-10-8-15(9-11-17)19-22-13-12-18(23-19)14-4-6-16(7-5-14)20(24)25/h4-13H,1-3H3,(H,24,25)