(4-ethylphenyl) 2-fluoranyl-4-(5-heptylpyrazin-2-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)F

Isomeric SMILES

CCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)F

InChI

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