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

Systemtic Name: 2-octyl-4-(5-propylpyrazin-2-yl)benzoic acid Openeye Name: 2-octyl-4-(5-propylpyrazin-2-yl)benzoic acid CAS Name: 2-octyl-4-(5-propyl-2-pyrazinyl)benzoic acid IUPAC Name: 2-octyl-4-(5-propylpyrazin-2-yl)benzoic acid Traditional Name: 2-octyl-4-(5-propylpyrazin-2-yl)benzoic acid Formula: C22H30N2O2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-3-5-6-7-8-9-11-17-14-18(12-13-20(17)22(25)26)21-16-23-19(10-4-2)15-24-21/h12-16H,3-11H2,1-2H3,(H,25,26)