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

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

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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)CCCC)F

Isomeric SMILES

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

InChI

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