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

Systemtic Name: 4-(5-nonylpyrazin-2-yl)-2-octyl-benzoate Openeye Name: 4-(5-nonylpyrazin-2-yl)-2-octyl-benzoate CAS Name: 4-(5-nonyl-2-pyrazinyl)-2-octylbenzoate IUPAC Name: 4-(5-nonylpyrazin-2-yl)-2-octylbenzoate Traditional Name: 4-(5-nonylpyrazin-2-yl)-2-octyl-benzoate Formula: C28H41N2O2- MolecularWeight: 437.63734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CCCCCCCC

Isomeric SMILES

CCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)[O-])CCCCCCCC

InChI

InChI=1S/C28H42N2O2/c1-3-5-7-9-11-13-15-17-25-21-30-27(22-29-25)24-18-19-26(28(31)32)23(20-24)16-14-12-10-8-6-4-2/h18-22H,3-17H2,1-2H3,(H,31,32)/p-1