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

Systemtic Name: (4-decyl-2-fluoranyl-phenyl) 5-(4-decylphenyl)pyrazine-2-carboxylate Openeye Name: (4-decyl-2-fluoro-phenyl) 5-(4-decylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-decylphenyl)-2-pyrazinecarboxylic acid (4-decyl-2-fluorophenyl) ester IUPAC Name: (4-decyl-2-fluorophenyl) 5-(4-decylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-decylphenyl)pyrazinic acid (4-decyl-2-fluoro-phenyl) ester Formula: C37H51FN2O2 MolecularWeight: 574.811443

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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)CCCCCCCCCC)F

Isomeric SMILES

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

InChI

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