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

Systemtic Name: (2-fluoranyl-4-octyl-phenyl) 5-(4-nonoxyphenyl)pyrazine-2-carboxylate Openeye Name: (2-fluoro-4-octyl-phenyl) 5-(4-nonoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-nonoxyphenyl)-2-pyrazinecarboxylic acid (2-fluoro-4-octylphenyl) ester IUPAC Name: (2-fluoro-4-octylphenyl) 5-(4-nonoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-nonoxyphenyl)pyrazinic acid (2-fluoro-4-octyl-phenyl) ester Formula: C34H45FN2O3 MolecularWeight: 548.731103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=C(C=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C34H45FN2O3/c1-3-5-7-9-11-13-15-23-39-29-20-18-28(19-21-29)31-25-37-32(26-36-31)34(38)40-33-22-17-27(24-30(33)35)16-14-12-10-8-6-4-2/h17-22,24-26H,3-16,23H2,1-2H3