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

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] 2-fluoranyl-4-heptyl-benzoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] 2-fluoro-4-heptyl-benzoate CAS Name: 2-fluoro-4-heptylbenzoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] 2-fluoro-4-heptylbenzoate Traditional Name: 2-fluoro-4-heptyl-benzoic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C33H42FNO2 MolecularWeight: 503.690483

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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)CCCCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C33H42FNO2/c1-3-5-7-9-11-13-15-27-17-23-32(35-25-27)28-18-20-29(21-19-28)37-33(36)30-22-16-26(24-31(30)34)14-12-10-8-6-4-2/h16-25H,3-15H2,1-2H3