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

Systemtic Name: 2-octyl-4-(5-undecylpyrazin-2-yl)benzoic acid Openeye Name: 2-octyl-4-(5-undecylpyrazin-2-yl)benzoic acid CAS Name: 2-octyl-4-(5-undecyl-2-pyrazinyl)benzoic acid IUPAC Name: 2-octyl-4-(5-undecylpyrazin-2-yl)benzoic acid Traditional Name: 2-octyl-4-(5-undecylpyrazin-2-yl)benzoic acid Formula: C30H46N2O2 MolecularWeight: 466.69844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CCCCCCCC

InChI

InChI=1S/C30H46N2O2/c1-3-5-7-9-11-12-13-15-17-19-27-23-32-29(24-31-27)26-20-21-28(30(33)34)25(22-26)18-16-14-10-8-6-4-2/h20-24H,3-19H2,1-2H3,(H,33,34)