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

Systemtic Name: (4-hexylphenyl) 2-fluoranyl-4-(5-octylpyrazin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 2-fluoro-4-(5-octylpyrazin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyrazinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-fluoro-4-(5-octylpyrazin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octylpyrazin-2-yl)benzoic acid (4-hexylphenyl) ester Formula: C31H39FN2O2 MolecularWeight: 490.651963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

Isomeric SMILES

CCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCC)F

InChI

InChI=1S/C31H39FN2O2/c1-3-5-7-9-10-12-14-26-22-34-30(23-33-26)25-17-20-28(29(32)21-25)31(35)36-27-18-15-24(16-19-27)13-11-8-6-4-2/h15-23H,3-14H2,1-2H3