pyrazin-2-yl 5-(4-butylphenyl)-2-fluoranyl-4-octyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCCC)C(=O)OC3=NC=CN=C3)F

InChI

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