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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-heptylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-heptylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-heptylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-heptylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-heptylphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C32H41FN2O2 MolecularWeight: 504.678543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C32H41FN2O2/c1-3-5-7-9-11-13-15-26-18-21-31(28(33)22-26)37-32(36)30-24-34-29(23-35-30)27-19-16-25(17-20-27)14-12-10-8-6-4-2/h16-24H,3-15H2,1-2H3