(4-pentylphenyl) 4-(5-butylpyridin-2-yl)-2-fluoranyl-benzoate

Systemtic Name: (4-pentylphenyl) 4-(5-butylpyridin-2-yl)-2-fluoranyl-benzoate Openeye Name: (4-pentylphenyl) 4-(5-butyl-2-pyridyl)-2-fluoro-benzoate CAS Name: 4-(5-butyl-2-pyridinyl)-2-fluorobenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(5-butylpyridin-2-yl)-2-fluorobenzoate Traditional Name: 4-(5-butyl-2-pyridyl)-2-fluoro-benzoic acid (4-amylphenyl) ester Formula: C27H30FNO2 MolecularWeight: 419.531003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=NC=C(C=C3)CCCC)F

InChI

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