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

Systemtic Name: (4-butylphenyl) 2-fluoranyl-4-(5-pentylpyridin-2-yl)benzoate Openeye Name: (4-butylphenyl) 2-fluoro-4-(5-pentyl-2-pyridyl)benzoate CAS Name: 2-fluoro-4-(5-pentyl-2-pyridinyl)benzoic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-fluoro-4-(5-pentylpyridin-2-yl)benzoate Traditional Name: 4-(5-amyl-2-pyridyl)-2-fluoro-benzoic acid (4-butylphenyl) ester Formula: C27H30FNO2 MolecularWeight: 419.531003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C27H30FNO2/c1-3-5-7-9-21-12-17-26(29-19-21)22-13-16-24(25(28)18-22)27(30)31-23-14-10-20(11-15-23)8-6-4-2/h10-19H,3-9H2,1-2H3