pyrazin-2-yl 2-fluoranyl-4-hexyl-5-(4-hexylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 2-fluoranyl-4-hexyl-5-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 2-fluoro-4-hexyl-5-(4-hexylphenyl)benzoate CAS Name: 2-fluoro-4-hexyl-5-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-4-hexyl-5-(4-hexylphenyl)benzoate Traditional Name: 2-fluoro-4-hexyl-5-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C29H35FN2O2 MolecularWeight: 462.598803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCCCC)F)C(=O)OC3=NC=CN=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCCCC)F)C(=O)OC3=NC=CN=C3

InChI

InChI=1S/C29H35FN2O2/c1-3-5-7-9-11-22-13-15-23(16-14-22)25-20-26(29(33)34-28-21-31-17-18-32-28)27(30)19-24(25)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3