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

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-4-(5-octylpyrazin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 2-fluoro-4-(5-octylpyrazin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-octyl-2-pyrazinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-fluoro-4-(5-octylpyrazin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-octylpyrazin-2-yl)benzoic acid (4-amylphenyl) ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H37FN2O2/c1-3-5-7-8-9-11-13-25-21-33-29(22-32-25)24-16-19-27(28(31)20-24)30(34)35-26-17-14-23(15-18-26)12-10-6-4-2/h14-22H,3-13H2,1-2H3