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

Systemtic Name: 4-(5-decylpyrazin-2-yl)-2-octyl-benzoate Openeye Name: 4-(5-decylpyrazin-2-yl)-2-octyl-benzoate CAS Name: 4-(5-decyl-2-pyrazinyl)-2-octylbenzoate IUPAC Name: 4-(5-decylpyrazin-2-yl)-2-octylbenzoate Traditional Name: 4-(5-decylpyrazin-2-yl)-2-octyl-benzoate Formula: C29H43N2O2- MolecularWeight: 451.66392

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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)/p-1