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

Systemtic Name: 2-octyl-4-(5-pentylpyrazin-2-yl)benzoate Openeye Name: 2-octyl-4-(5-pentylpyrazin-2-yl)benzoate CAS Name: 2-octyl-4-(5-pentyl-2-pyrazinyl)benzoate IUPAC Name: 2-octyl-4-(5-pentylpyrazin-2-yl)benzoate Traditional Name: 4-(5-amylpyrazin-2-yl)-2-octyl-benzoate Formula: C24H33N2O2- MolecularWeight: 381.53102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O2/c1-3-5-7-8-9-11-12-19-16-20(14-15-22(19)24(27)28)23-18-25-21(17-26-23)13-10-6-4-2/h14-18H,3-13H2,1-2H3,(H,27,28)/p-1