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

Systemtic Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: [4-(5-butyl-2-pyridyl)phenyl] 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid [4-(5-butyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid [4-(5-butyl-2-pyridyl)phenyl] ester Formula: C29H34FNO2 MolecularWeight: 447.584163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

InChI

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