(4-hexylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate

Systemtic Name: (4-hexylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-hexylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-propoxyphenyl)-2-pyrazinecarboxylic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 5-(4-propoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-propoxyphenyl)pyrazinic acid (4-hexylphenyl) ester Formula: C26H30N2O3 MolecularWeight: 418.528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)OCCC

InChI

InChI=1S/C26H30N2O3/c1-3-5-6-7-8-20-9-13-23(14-10-20)31-26(29)25-19-27-24(18-28-25)21-11-15-22(16-12-21)30-17-4-2/h9-16,18-19H,3-8,17H2,1-2H3