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

Systemtic Name: 4-(5-butylpyrazin-2-yl)-2-octyl-benzoate Openeye Name: 4-(5-butylpyrazin-2-yl)-2-octyl-benzoate CAS Name: 4-(5-butyl-2-pyrazinyl)-2-octylbenzoate IUPAC Name: 4-(5-butylpyrazin-2-yl)-2-octylbenzoate Traditional Name: 4-(5-butylpyrazin-2-yl)-2-octyl-benzoate Formula: C23H31N2O2- MolecularWeight: 367.50444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-3-5-7-8-9-10-11-18-15-19(13-14-21(18)23(26)27)22-17-24-20(16-25-22)12-6-4-2/h13-17H,3-12H2,1-2H3,(H,26,27)/p-1