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

Systemtic Name: (4-butylphenyl) 2-fluoranyl-4-(5-heptylpyridin-2-yl)benzoate Openeye Name: (4-butylphenyl) 2-fluoro-4-(5-heptyl-2-pyridyl)benzoate CAS Name: 2-fluoro-4-(5-heptyl-2-pyridinyl)benzoic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-fluoro-4-(5-heptylpyridin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-heptyl-2-pyridyl)benzoic acid (4-butylphenyl) ester Formula: C29H34FNO2 MolecularWeight: 447.584163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C29H34FNO2/c1-3-5-7-8-9-11-23-14-19-28(31-21-23)24-15-18-26(27(30)20-24)29(32)33-25-16-12-22(13-17-25)10-6-4-2/h12-21H,3-11H2,1-2H3