[2-[(E)-octadec-9-enoyl]oxy-3-(4-pyrrolidin-1-ylbutanoylamino)propyl] (E)-octadec-9-enoate

Systemtic Name: [2-[(E)-octadec-9-enoyl]oxy-3-(4-pyrrolidin-1-ylbutanoylamino)propyl] (E)-octadec-9-enoate Openeye Name: [2-[(E)-octadec-9-enoyl]oxy-3-(4-pyrrolidin-1-ylbutanoylamino)propyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [2-[(E)-1-oxooctadec-9-enoxy]-3-[[1-oxo-4-(1-pyrrolidinyl)butyl]amino]propyl] ester IUPAC Name: [2-[(E)-octadec-9-enoyl]oxy-3-(4-pyrrolidin-1-ylbutanoylamino)propyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [2-[(E)-octadec-9-enoyl]oxy-3-(4-pyrrolidinobutanoylamino)propyl] ester Formula: C47H86N2O5 MolecularWeight: 759.19614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(CNC(=O)CCCN1CCCC1)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CNC(=O)CCCN1CCCC1)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C47H86N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-46(51)53-43-44(42-48-45(50)36-35-41-49-39-33-34-40-49)54-47(52)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,44H,3-16,21-43H2,1-2H3,(H,48,50)/b19-17+,20-18+