(4-decyl-2-fluoranyl-phenyl) 5-(4-nonylphenyl)pyrazine-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCCCC)F

InChI

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