(2-fluoranyl-4-octyl-phenyl) 5-(4-undecylphenyl)pyrazine-2-carboxylate

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-undecylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-undecylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-undecylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-undecylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-undecylphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C36H49FN2O2 MolecularWeight: 560.784863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C36H49FN2O2/c1-3-5-7-9-11-12-13-15-16-18-29-20-23-31(24-21-29)33-27-39-34(28-38-33)36(40)41-35-25-22-30(26-32(35)37)19-17-14-10-8-6-4-2/h20-28H,3-19H2,1-2H3