2-octyl-4-(5-octylpyrazin-2-yl)benzoic acid

Systemtic Name: 2-octyl-4-(5-octylpyrazin-2-yl)benzoic acid Openeye Name: 2-octyl-4-(5-octylpyrazin-2-yl)benzoic acid CAS Name: 2-octyl-4-(5-octyl-2-pyrazinyl)benzoic acid IUPAC Name: 2-octyl-4-(5-octylpyrazin-2-yl)benzoic acid Traditional Name: 2-octyl-4-(5-octylpyrazin-2-yl)benzoic acid Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=CC(=C1)C2=CN=C(C=N2)CCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C(C=CC(=C1)C2=CN=C(C=N2)CCCCCCCC)C(=O)O

InChI

InChI=1S/C27H40N2O2/c1-3-5-7-9-11-13-15-22-19-23(17-18-25(22)27(30)31)26-21-28-24(20-29-26)16-14-12-10-8-6-4-2/h17-21H,3-16H2,1-2H3,(H,30,31)