4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoic acid

Systemtic Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoic acid CAS Name: 4-[5-(4-butylphenyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[5-(4-butylphenyl)pyrimidin-2-yl]benzoic acid Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O2/c1-2-3-4-15-5-7-16(8-6-15)19-13-22-20(23-14-19)17-9-11-18(12-10-17)21(24)25/h5-14H,2-4H2,1H3,(H,24,25)