(4-heptylphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate

Systemtic Name: (4-heptylphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Openeye Name: (4-heptylphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-octylphenyl)-2-pyrazinecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 5-(4-octylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-octylphenyl)pyrazinic acid (4-heptylphenyl) ester Formula: C32H42N2O2 MolecularWeight: 486.68808

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CN=C(C=N2)C(=O)OC3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C32H42N2O2/c1-3-5-7-9-11-13-14-26-16-20-28(21-17-26)30-24-34-31(25-33-30)32(35)36-29-22-18-27(19-23-29)15-12-10-8-6-4-2/h16-25H,3-15H2,1-2H3