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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=C3)CCCCCC)F

InChI

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