[3-[(E)-octadec-9-enoyl]oxy-2-(2-pyrrolidin-1-ylethylcarbamoyloxy)propyl] (E)-octadec-9-enoate

Systemtic Name: [3-[(E)-octadec-9-enoyl]oxy-2-(2-pyrrolidin-1-ylethylcarbamoyloxy)propyl] (E)-octadec-9-enoate Openeye Name: [3-[(E)-octadec-9-enoyl]oxy-2-(2-pyrrolidin-1-ylethylcarbamoyloxy)propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [3-[(E)-1-oxooctadec-9-enoxy]-2-[oxo-[2-(1-pyrrolidinyl)ethylamino]methoxy]propyl] ester IUPAC Name: [3-[(E)-octadec-9-enoyl]oxy-2-(2-pyrrolidin-1-ylethylcarbamoyloxy)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [3-[(E)-octadec-9-enoyl]oxy-2-(2-pyrrolidinoethylcarbamoyloxy)propyl] ester Formula: C46H84N2O6 MolecularWeight: 761.16896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)NCCN1CCCC1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(OC(=O)NCCN1CCCC1)COC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C46H84N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-44(49)52-41-43(54-46(51)47-37-40-48-38-33-34-39-48)42-53-45(50)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,43H,3-16,21-42H2,1-2H3,(H,47,51)/b19-17+,20-18+