[4-(5-heptylpyridin-2-yl)phenyl] 2-fluoranyl-4-hexyl-benzoate

Systemtic Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-fluoranyl-4-hexyl-benzoate Openeye Name: [4-(5-heptyl-2-pyridyl)phenyl] 2-fluoro-4-hexyl-benzoate CAS Name: 2-fluoro-4-hexylbenzoic acid [4-(5-heptyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyridin-2-yl)phenyl] 2-fluoro-4-hexylbenzoate Traditional Name: 2-fluoro-4-hexyl-benzoic acid [4-(5-heptyl-2-pyridyl)phenyl] ester Formula: C31H38FNO2 MolecularWeight: 475.637323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=C(C=C(C=C3)CCCCCC)F

InChI

InChI=1S/C31H38FNO2/c1-3-5-7-9-11-13-25-15-21-30(33-23-25)26-16-18-27(19-17-26)35-31(34)28-20-14-24(22-29(28)32)12-10-8-6-4-2/h14-23H,3-13H2,1-2H3