[3-(2-dimethylaminoethylcarbamoyloxy)-2-hexadecanoyloxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-(2-dimethylaminoethylcarbamoyloxy)-2-hexadecanoyloxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-(2-dimethylaminoethylcarbamoyloxy)-2-hexadecanoyloxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[(2-dimethylaminoethylamino)-oxomethoxy]-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-(2-dimethylaminoethylcarbamoyloxy)-2-hexadecanoyloxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(2-dimethylaminoethylcarbamoyloxy)-2-hexadecanoyloxy-propyl] ester Formula: C42H80N2O6 MolecularWeight: 709.0944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)NCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)NCCN(C)C

InChI

InChI=1S/C42H80N2O6/c1-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-40(45)48-37-39(38-49-42(47)43-35-36-44(3)4)50-41(46)34-32-30-28-26-24-21-18-16-14-12-10-8-6-2/h19-20,39H,5-18,21-38H2,1-4H3,(H,43,47)/b20-19+