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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCC)C(=O)OC3=NC=CN=C3)F

InChI

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