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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-octylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-octylphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C33H43FN2O2 MolecularWeight: 518.705123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C33H43FN2O2/c1-3-5-7-9-11-13-15-26-17-20-28(21-18-26)30-24-36-31(25-35-30)33(37)38-32-22-19-27(23-29(32)34)16-14-12-10-8-6-4-2/h17-25H,3-16H2,1-2H3