4-(5-hexylpyrimidin-2-yl)benzoic acid

Systemtic Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid Openeye Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid CAS Name: 4-(5-hexyl-2-pyrimidinyl)benzoic acid IUPAC Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid Traditional Name: 4-(5-hexylpyrimidin-2-yl)benzoic acid Formula: C17H20N2O2 MolecularWeight: 284.3529

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H20N2O2/c1-2-3-4-5-6-13-11-18-16(19-12-13)14-7-9-15(10-8-14)17(20)21/h7-12H,2-6H2,1H3,(H,20,21)