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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-nonylphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-nonylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-nonylphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-nonylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-nonylphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C34H45FN2O2 MolecularWeight: 532.731703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C34H45FN2O2/c1-3-5-7-9-11-13-14-16-27-18-21-29(22-19-27)31-25-37-32(26-36-31)34(38)39-33-23-20-28(24-30(33)35)17-15-12-10-8-6-4-2/h18-26H,3-17H2,1-2H3