3-[2-(4,5-dihydro-1H-imidazol-2-yl)octadecyl]-4-oxidanylidene-henicosanal

Systemtic Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)octadecyl]-4-oxidanylidene-henicosanal Openeye Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)octadecyl]-4-oxo-henicosanal CAS Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)octadecyl]-4-oxoheneicosanal IUPAC Name: 3-[2-(4,5-dihydro-1H-imidazol-2-yl)octadecyl]-4-oxohenicosanal Traditional Name: 3-[2-(2-imidazolin-2-yl)octadecyl]-4-keto-heneicosanal Formula: C42H80N2O2 MolecularWeight: 645.0968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CC=O)CC(CCCCCCCCCCCCCCCC)C1=NCCN1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CC=O)CC(CCCCCCCCCCCCCCCC)C1=NCCN1

InChI

InChI=1S/C42H80N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(46)39(34-37-45)38-40(42-43-35-36-44-42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,39-40H,3-36,38H2,1-2H3,(H,43,44)