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

Systemtic Name: 4-(5-nonylpyrazin-2-yl)-2-octyl-benzoic acid Openeye Name: 4-(5-nonylpyrazin-2-yl)-2-octyl-benzoic acid CAS Name: 4-(5-nonyl-2-pyrazinyl)-2-octylbenzoic acid IUPAC Name: 4-(5-nonylpyrazin-2-yl)-2-octylbenzoic acid Traditional Name: 4-(5-nonylpyrazin-2-yl)-2-octyl-benzoic acid Formula: C28H42N2O2 MolecularWeight: 438.64528

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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)