[4-(5-octylpyridin-2-yl)phenyl] 2-fluoranyl-4-propyl-benzoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 2-fluoranyl-4-propyl-benzoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 2-fluoro-4-propyl-benzoate CAS Name: 2-fluoro-4-propylbenzoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 2-fluoro-4-propylbenzoate Traditional Name: 2-fluoro-4-propyl-benzoic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C29H34FNO2 MolecularWeight: 447.584163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCC)F

InChI

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