4-(5-hexylpyridin-2-yl)-2-octyl-benzoic acid

Systemtic Name: 4-(5-hexylpyridin-2-yl)-2-octyl-benzoic acid Openeye Name: 4-(5-hexyl-2-pyridyl)-2-octyl-benzoic acid CAS Name: 4-(5-hexyl-2-pyridinyl)-2-octylbenzoic acid IUPAC Name: 4-(5-hexylpyridin-2-yl)-2-octylbenzoic acid Traditional Name: 4-(5-hexyl-2-pyridyl)-2-octyl-benzoic acid Formula: C26H37NO2 MolecularWeight: 395.57748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)C2=NC=C(C=C2)CCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)C2=NC=C(C=C2)CCCCCC)C(=O)O

InChI

InChI=1S/C26H37NO2/c1-3-5-7-9-10-12-14-22-19-23(16-17-24(22)26(28)29)25-18-15-21(20-27-25)13-11-8-6-4-2/h15-20H,3-14H2,1-2H3,(H,28,29)