[1-(2-dimethylaminoethyloxycarbonylamino)-3-hexadecanoyloxy-propan-2-yl] (E)-octadec-9-enoate

Systemtic Name: [1-(2-dimethylaminoethyloxycarbonylamino)-3-hexadecanoyloxy-propan-2-yl] (E)-octadec-9-enoate Openeye Name: [1-[(2-dimethylaminoethyloxycarbonylamino)methyl]-2-hexadecanoyloxy-ethyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [1-[[2-dimethylaminoethyloxy(oxo)methyl]amino]-3-(1-oxohexadecoxy)propan-2-yl] ester IUPAC Name: [1-(2-dimethylaminoethyloxycarbonylamino)-3-hexadecanoyloxypropan-2-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [1-[(2-dimethylaminoethyloxycarbonylamino)methyl]-2-hexadecanoyloxy-ethyl] ester Formula: C42H80N2O6 MolecularWeight: 709.0944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(CNC(=O)OCCN(C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H80N2O6/c1-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(46)50-39(37-43-42(47)48-36-35-44(3)4)38-49-40(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+