[4-(5-hexylpyridin-2-yl)phenyl] 2-fluoranyl-4-pentyl-benzoate

Systemtic Name: [4-(5-hexylpyridin-2-yl)phenyl] 2-fluoranyl-4-pentyl-benzoate Openeye Name: [4-(5-hexyl-2-pyridyl)phenyl] 2-fluoro-4-pentyl-benzoate CAS Name: 2-fluoro-4-pentylbenzoic acid [4-(5-hexyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyridin-2-yl)phenyl] 2-fluoro-4-pentylbenzoate Traditional Name: 4-amyl-2-fluoro-benzoic acid [4-(5-hexyl-2-pyridyl)phenyl] ester Formula: C29H34FNO2 MolecularWeight: 447.584163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCCCC)F

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCCCC)F

InChI

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