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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-undecoxyphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-undecoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-undecoxyphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-undecoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-undecoxyphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C36H49FN2O3 MolecularWeight: 576.784263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C36H49FN2O3/c1-3-5-7-9-11-12-13-15-17-25-41-31-22-20-30(21-23-31)33-27-39-34(28-38-33)36(40)42-35-24-19-29(26-32(35)37)18-16-14-10-8-6-4-2/h19-24,26-28H,3-18,25H2,1-2H3