[2-(2-dimethylaminoethyloxycarbonylamino)-3-hexadecoxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [2-(2-dimethylaminoethyloxycarbonylamino)-3-hexadecoxy-propyl] (E)-octadec-9-enoate Openeye Name: [2-(2-dimethylaminoethyloxycarbonylamino)-3-hexadecoxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[[2-dimethylaminoethyloxy(oxo)methyl]amino]-3-hexadecoxypropyl] ester IUPAC Name: [2-(2-dimethylaminoethyloxycarbonylamino)-3-hexadecoxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-cetyloxy-2-(2-dimethylaminoethyloxycarbonylamino)propyl] ester Formula: C42H82N2O5 MolecularWeight: 695.11088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCCC=CCCCCCCCC)NC(=O)OCCN(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)NC(=O)OCCN(C)C

InChI

InChI=1S/C42H82N2O5/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-41(45)49-39-40(43-42(46)48-37-35-44(3)4)38-47-36-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2/h19,21,40H,5-18,20,22-39H2,1-4H3,(H,43,46)/b21-19+