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

Systemtic Name: 2-octyl-4-(5-pentylpyridin-2-yl)benzoic acid Openeye Name: 2-octyl-4-(5-pentyl-2-pyridyl)benzoic acid CAS Name: 2-octyl-4-(5-pentyl-2-pyridinyl)benzoic acid IUPAC Name: 2-octyl-4-(5-pentylpyridin-2-yl)benzoic acid Traditional Name: 4-(5-amyl-2-pyridyl)-2-octyl-benzoic acid Formula: C25H35NO2 MolecularWeight: 381.5509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35NO2/c1-3-5-7-8-9-11-13-21-18-22(15-16-23(21)25(27)28)24-17-14-20(19-26-24)12-10-6-4-2/h14-19H,3-13H2,1-2H3,(H,27,28)