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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-dodecylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-dodecylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-laurylphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C37H51FN2O2 MolecularWeight: 574.811443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C37H51FN2O2/c1-3-5-7-9-11-12-13-14-16-17-19-30-21-24-32(25-22-30)34-28-40-35(29-39-34)37(41)42-36-26-23-31(27-33(36)38)20-18-15-10-8-6-4-2/h21-29H,3-20H2,1-2H3