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

Systemtic Name: (4-heptylphenyl) 5-(4-butylphenyl)pyrazine-2-carboxylate Openeye Name: (4-heptylphenyl) 5-(4-butylphenyl)pyrazine-2-carboxylate CAS Name: 5-(4-butylphenyl)-2-pyrazinecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 5-(4-butylphenyl)pyrazine-2-carboxylate Traditional Name: 5-(4-butylphenyl)pyrazinic acid (4-heptylphenyl) ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2=NC=C(N=C2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C28H34N2O2/c1-3-5-7-8-9-11-23-14-18-25(19-15-23)32-28(31)27-21-29-26(20-30-27)24-16-12-22(13-17-24)10-6-4-2/h12-21H,3-11H2,1-2H3