(4-heptoxyphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate

Systemtic Name: (4-heptoxyphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-heptoxyphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-dodecoxyphenyl)-2-pyrazinecarboxylic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 5-(4-dodecoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-lauryloxyphenyl)pyrazinic acid (4-heptoxyphenyl) ester Formula: C36H50N2O4 MolecularWeight: 574.7932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)OCCCCCCC

InChI

InChI=1S/C36H50N2O4/c1-3-5-7-9-10-11-12-13-15-17-27-40-31-20-18-30(19-21-31)34-28-38-35(29-37-34)36(39)42-33-24-22-32(23-25-33)41-26-16-14-8-6-4-2/h18-25,28-29H,3-17,26-27H2,1-2H3