(4-hexylphenyl) 2-fluoranyl-4-(5-hexylpyrazin-2-yl)benzoate

Systemtic Name: (4-hexylphenyl) 2-fluoranyl-4-(5-hexylpyrazin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-hexyl-2-pyrazinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoic acid (4-hexylphenyl) ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CN=C(C=N3)CCCCCC)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3=CN=C(C=N3)CCCCCC)F

InChI

InChI=1S/C29H35FN2O2/c1-3-5-7-9-11-22-13-16-25(17-14-22)34-29(33)26-18-15-23(19-27(26)30)28-21-31-24(20-32-28)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3