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

Systemtic Name: (4-hexylphenyl) 2-fluoranyl-4-(5-propylpyrazin-2-yl)benzoate Openeye Name: (4-hexylphenyl) 2-fluoro-4-(5-propylpyrazin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-propyl-2-pyrazinyl)benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-fluoro-4-(5-propylpyrazin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-propylpyrazin-2-yl)benzoic acid (4-hexylphenyl) ester Formula: C26H29FN2O2 MolecularWeight: 420.519063

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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)CCC)F

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN2O2/c1-3-5-6-7-9-19-10-13-22(14-11-19)31-26(30)23-15-12-20(16-24(23)27)25-18-28-21(8-4-2)17-29-25/h10-18H,3-9H2,1-2H3