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

Systemtic Name: (4-decyl-2-fluoranyl-phenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Openeye Name: (4-decyl-2-fluoro-phenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-octylphenyl)-2-pyrazinecarboxylic acid (4-decyl-2-fluorophenyl) ester IUPAC Name: (4-decyl-2-fluorophenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-octylphenyl)pyrazinic acid (4-decyl-2-fluoro-phenyl) ester Formula: C35H47FN2O2 MolecularWeight: 546.758283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCCCCCC)F

InChI

InChI=1S/C35H47FN2O2/c1-3-5-7-9-11-12-14-16-18-29-21-24-34(31(36)25-29)40-35(39)33-27-37-32(26-38-33)30-22-19-28(20-23-30)17-15-13-10-8-6-4-2/h19-27H,3-18H2,1-2H3