[2-docosanoyloxy-4-[2-(propan-2-ylamino)ethanoyl]phenyl] docosanoate

Systemtic Name: [2-docosanoyloxy-4-[2-(propan-2-ylamino)ethanoyl]phenyl] docosanoate Openeye Name: [2-docosanoyloxy-4-[2-(isopropylamino)acetyl]phenyl] docosanoate CAS Name: docosanoic acid [2-(1-oxodocosoxy)-4-[1-oxo-2-(propan-2-ylamino)ethyl]phenyl] ester IUPAC Name: [2-docosanoyloxy-4-[2-(propan-2-ylamino)acetyl]phenyl] docosanoate Traditional Name: behenic acid [2-docosanoyloxy-4-[2-(isopropylamino)acetyl]phenyl] ester Formula: C55H99NO5 MolecularWeight: 854.37826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=C(C=C(C=C1)C(=O)CNC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC

InChI

InChI=1S/C55H99NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-54(58)60-52-46-45-50(51(57)48-56-49(3)4)47-53(52)61-55(59)44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h45-47,49,56H,5-44,48H2,1-4H3