[3-(2-azanylethoxycarbonylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate

Systemtic Name: [3-(2-azanylethoxycarbonylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate Openeye Name: [3-(2-aminoethoxycarbonylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[[2-aminoethoxy(oxo)methyl]amino]-2-[(E)-1-oxooctadec-9-enoxy]propyl] ester IUPAC Name: [3-(2-aminoethoxycarbonylamino)-2-[(E)-octadec-9-enoyl]oxypropyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-(2-aminoethoxycarbonylamino)-2-[(E)-octadec-9-enoyl]oxy-propyl] ester Formula: C42H78N2O6 MolecularWeight: 707.07852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H78N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(45)49-38-39(37-44-42(47)48-36-35-43)50-41(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39H,3-16,21-38,43H2,1-2H3,(H,44,47)/b19-17+,20-18+