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

Systemtic Name: (4-butylphenyl) 2-fluoranyl-4-(5-hexylpyrazin-2-yl)benzoate Openeye Name: (4-butylphenyl) 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-hexyl-2-pyrazinyl)benzoic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoic acid (4-butylphenyl) ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C27H31FN2O2/c1-3-5-7-8-10-22-18-30-26(19-29-22)21-13-16-24(25(28)17-21)27(31)32-23-14-11-20(12-15-23)9-6-4-2/h11-19H,3-10H2,1-2H3