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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-decylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-decylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-decylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-decylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-decylphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C35H47FN2O2 MolecularWeight: 546.758283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C35H47FN2O2/c1-3-5-7-9-11-12-14-15-17-28-19-22-30(23-20-28)32-26-38-33(27-37-32)35(39)40-34-24-21-29(25-31(34)36)18-16-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3