1-(6-methyl-8-oxidanylidene-2,3,4,7-tetrahydro-1H-1,5-diazocin-7-yl)propyl docosanoate

Systemtic Name: 1-(6-methyl-8-oxidanylidene-2,3,4,7-tetrahydro-1H-1,5-diazocin-7-yl)propyl docosanoate Openeye Name: 1-(6-methyl-8-oxo-2,3,4,7-tetrahydro-1H-1,5-diazocin-7-yl)propyl docosanoate CAS Name: docosanoic acid 1-(6-methyl-8-oxo-2,3,4,7-tetrahydro-1H-1,5-diazocin-7-yl)propyl ester IUPAC Name: 1-(6-methyl-8-oxo-2,3,4,7-tetrahydro-1H-1,5-diazocin-7-yl)propyl docosanoate Traditional Name: behenic acid 1-(8-keto-6-methyl-2,3,4,7-tetrahydro-1H-1,5-diazocin-7-yl)propyl ester Formula: C32H60N2O3 MolecularWeight: 520.8304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC)C1C(=NCCCNC1=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC)C1C(=NCCCNC1=O)C

InChI

InChI=1S/C32H60N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-30(35)37-29(5-2)31-28(3)33-26-24-27-34-32(31)36/h29,31H,4-27H2,1-3H3,(H,34,36)