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

Systemtic Name: pyrazin-2-yl 4-butyl-2-fluoranyl-5-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-butyl-2-fluoro-5-(4-hexylphenyl)benzoate CAS Name: 4-butyl-2-fluoro-5-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-butyl-2-fluoro-5-(4-hexylphenyl)benzoate Traditional Name: 4-butyl-2-fluoro-5-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCC)F)C(=O)OC3=NC=CN=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=C(C=C2CCCC)F)C(=O)OC3=NC=CN=C3

InChI

InChI=1S/C27H31FN2O2/c1-3-5-7-8-9-20-11-13-21(14-12-20)23-18-24(25(28)17-22(23)10-6-4-2)27(31)32-26-19-29-15-16-30-26/h11-19H,3-10H2,1-2H3