(4-hexylphenyl) 2-fluoranyl-4-(5-octylpyridin-2-yl)benzoate

Systemtic Name: (4-hexylphenyl) 2-fluoranyl-4-(5-octylpyridin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 2-fluoro-4-(5-octyl-2-pyridyl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyridinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-fluoro-4-(5-octylpyridin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octyl-2-pyridyl)benzoic acid (4-hexylphenyl) ester Formula: C32H40FNO2 MolecularWeight: 489.663903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C32H40FNO2/c1-3-5-7-9-10-12-14-26-17-22-31(34-24-26)27-18-21-29(30(33)23-27)32(35)36-28-19-15-25(16-20-28)13-11-8-6-4-2/h15-24H,3-14H2,1-2H3