(4-pentylphenyl) 5-(4-octoxyphenyl)pyrazine-2-carboxylate

Systemtic Name: (4-pentylphenyl) 5-(4-octoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-pentylphenyl) 5-(4-octoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-octoxyphenyl)-2-pyrazinecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 5-(4-octoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-octoxyphenyl)pyrazinic acid (4-amylphenyl) ester Formula: C30H38N2O3 MolecularWeight: 474.63432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C30H38N2O3/c1-3-5-7-8-9-11-21-34-26-19-15-25(16-20-26)28-22-32-29(23-31-28)30(33)35-27-17-13-24(14-18-27)12-10-6-4-2/h13-20,22-23H,3-12,21H2,1-2H3