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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=NC=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCC1=NC(=NC=C1)C2=CC=C(C=C2)C(=O)O

InChI

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