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

Systemtic Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoranyl-4-octyl-benzoate Openeye Name: [4-(5-butyl-2-pyridyl)phenyl] 2-fluoro-4-octyl-benzoate CAS Name: 2-fluoro-4-octylbenzoic acid [4-(5-butyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-butylpyridin-2-yl)phenyl] 2-fluoro-4-octylbenzoate Traditional Name: 2-fluoro-4-octyl-benzoic acid [4-(5-butyl-2-pyridyl)phenyl] ester Formula: C30H36FNO2 MolecularWeight: 461.610743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCC)F

InChI

InChI=1S/C30H36FNO2/c1-3-5-7-8-9-10-12-23-13-19-27(28(31)21-23)30(33)34-26-17-15-25(16-18-26)29-20-14-24(22-32-29)11-6-4-2/h13-22H,3-12H2,1-2H3