4-(5-heptylpyrazin-2-yl)-2-octyl-benzoate

Systemtic Name: 4-(5-heptylpyrazin-2-yl)-2-octyl-benzoate Openeye Name: 4-(5-heptylpyrazin-2-yl)-2-octyl-benzoate CAS Name: 4-(5-heptyl-2-pyrazinyl)-2-octylbenzoate IUPAC Name: 4-(5-heptylpyrazin-2-yl)-2-octylbenzoate Traditional Name: 4-(5-heptylpyrazin-2-yl)-2-octyl-benzoate Formula: C26H37N2O2- MolecularWeight: 409.58418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)C2=CN=C(C=N2)CCCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)C2=CN=C(C=N2)CCCCCCC)C(=O)[O-]

InChI

InChI=1S/C26H38N2O2/c1-3-5-7-9-11-12-14-21-18-22(16-17-24(21)26(29)30)25-20-27-23(19-28-25)15-13-10-8-6-4-2/h16-20H,3-15H2,1-2H3,(H,29,30)/p-1