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

Systemtic Name: 4-(5-heptylpyridin-2-yl)-2-octyl-benzoic acid Openeye Name: 4-(5-heptyl-2-pyridyl)-2-octyl-benzoic acid CAS Name: 4-(5-heptyl-2-pyridinyl)-2-octylbenzoic acid IUPAC Name: 4-(5-heptylpyridin-2-yl)-2-octylbenzoic acid Traditional Name: 4-(5-heptyl-2-pyridyl)-2-octyl-benzoic acid Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO2/c1-3-5-7-9-11-13-15-23-20-24(17-18-25(23)27(29)30)26-19-16-22(21-28-26)14-12-10-8-6-4-2/h16-21H,3-15H2,1-2H3,(H,29,30)