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

Systemtic Name: (4-butylphenyl) 2-fluoranyl-4-(5-octylpyridin-2-yl)benzoate Openeye Name: (4-butylphenyl) 2-fluoro-4-(5-octyl-2-pyridyl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyridinyl)benzoic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-fluoro-4-(5-octylpyridin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octyl-2-pyridyl)benzoic acid (4-butylphenyl) ester Formula: C30H36FNO2 MolecularWeight: 461.610743

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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)CCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H36FNO2/c1-3-5-7-8-9-10-12-24-15-20-29(32-22-24)25-16-19-27(28(31)21-25)30(33)34-26-17-13-23(14-18-26)11-6-4-2/h13-22H,3-12H2,1-2H3