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

Systemtic Name: (4-pentylphenyl) 2-fluoranyl-4-(5-hexylpyrazin-2-yl)benzoate Openeye Name: (4-pentylphenyl) 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoate CAS Name: 2-fluoro-4-(5-hexyl-2-pyrazinyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoate Traditional Name: 2-fluoro-4-(5-hexylpyrazin-2-yl)benzoic acid (4-amylphenyl) ester Formula: C28H33FN2O2 MolecularWeight: 448.572223

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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)CCCCC)F

Isomeric SMILES

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

InChI

InChI=1S/C28H33FN2O2/c1-3-5-7-9-11-23-19-31-27(20-30-23)22-14-17-25(26(29)18-22)28(32)33-24-15-12-21(13-16-24)10-8-6-4-2/h12-20H,3-11H2,1-2H3