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

Systemtic Name: 4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzoic acid Openeye Name: 4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzoic acid CAS Name: 4-[5-(4-pentylphenyl)-2-pyrimidinyl]benzoic acid IUPAC Name: 4-[5-(4-pentylphenyl)pyrimidin-2-yl]benzoic acid Traditional Name: 4-[5-(4-amylphenyl)pyrimidin-2-yl]benzoic acid Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H22N2O2/c1-2-3-4-5-16-6-8-17(9-7-16)20-14-23-21(24-15-20)18-10-12-19(13-11-18)22(25)26/h6-15H,2-5H2,1H3,(H,25,26)