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

Systemtic Name: 4-(5-octylpyrimidin-2-yl)benzoic acid Openeye Name: 4-(5-octylpyrimidin-2-yl)benzoic acid CAS Name: 4-(5-octyl-2-pyrimidinyl)benzoic acid IUPAC Name: 4-(5-octylpyrimidin-2-yl)benzoic acid Traditional Name: 4-(5-octylpyrimidin-2-yl)benzoic acid Formula: C19H24N2O2 MolecularWeight: 312.40606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H24N2O2/c1-2-3-4-5-6-7-8-15-13-20-18(21-14-15)16-9-11-17(12-10-16)19(22)23/h9-14H,2-8H2,1H3,(H,22,23)