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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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