(2-fluoranyl-4-nonyl-phenyl) 5-(4-undecylphenyl)pyrazine-2-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCCC)F

InChI

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