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

Systemtic Name: (4-hexylphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Openeye Name: (4-hexylphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-butoxyphenyl)-2-pyrazinecarboxylic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 5-(4-butoxyphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-butoxyphenyl)pyrazinic acid (4-hexylphenyl) ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3/c1-3-5-7-8-9-21-10-14-24(15-11-21)32-27(30)26-20-28-25(19-29-26)22-12-16-23(17-13-22)31-18-6-4-2/h10-17,19-20H,3-9,18H2,1-2H3