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

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-3-(2-piperidin-1-ylethylcarbamoyloxy)propyl] (E)-octadec-9-enoate Openeye Name: [2-[(E)-octadec-9-enoyl]oxy-3-[2-(1-piperidyl)ethylcarbamoyloxy]propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(E)-1-oxooctadec-9-enoxy]-3-[oxo-[2-(1-piperidinyl)ethylamino]methoxy]propyl] ester IUPAC Name: [2-[(E)-octadec-9-enoyl]oxy-3-(2-piperidin-1-ylethylcarbamoyloxy)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(E)-octadec-9-enoyl]oxy-3-(2-piperidinoethylcarbamoyloxy)propyl] ester Formula: C47H86N2O6 MolecularWeight: 775.19554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)NCCN1CCCCC1)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COC(=O)NCCN1CCCCC1)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C47H86N2O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-36-45(50)53-42-44(43-54-47(52)48-38-41-49-39-34-31-35-40-49)55-46(51)37-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-43H2,1-2H3,(H,48,52)/b19-17+,20-18+