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

Systemtic Name: 4-(5-decylpyrazin-2-yl)-2-octyl-benzoic acid Openeye Name: 4-(5-decylpyrazin-2-yl)-2-octyl-benzoic acid CAS Name: 4-(5-decyl-2-pyrazinyl)-2-octylbenzoic acid IUPAC Name: 4-(5-decylpyrazin-2-yl)-2-octylbenzoic acid Traditional Name: 4-(5-decylpyrazin-2-yl)-2-octyl-benzoic acid Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)O)CCCCCCCC

InChI

InChI=1S/C29H44N2O2/c1-3-5-7-9-11-12-14-16-18-26-22-31-28(23-30-26)25-19-20-27(29(32)33)24(21-25)17-15-13-10-8-6-4-2/h19-23H,3-18H2,1-2H3,(H,32,33)