[4-(5-butylpyridin-2-yl)phenyl] 2-fluoranyl-4-hexyl-benzoate

Systemtic Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoranyl-4-hexyl-benzoate Openeye Name: [4-(5-butyl-2-pyridyl)phenyl] 2-fluoro-4-hexyl-benzoate CAS Name: 2-fluoro-4-hexylbenzoic acid [4-(5-butyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoro-4-hexylbenzoate Traditional Name: 2-fluoro-4-hexyl-benzoic acid [4-(5-butyl-2-pyridyl)phenyl] ester Formula: C28H32FNO2 MolecularWeight: 433.557583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

InChI

InChI=1S/C28H32FNO2/c1-3-5-7-8-10-21-11-17-25(26(29)19-21)28(31)32-24-15-13-23(14-16-24)27-18-12-22(20-30-27)9-6-4-2/h11-20H,3-10H2,1-2H3