[(E)-4-aminocarbonyl-3-[(E)-octadec-9-enoyl]oxy-icos-11-enyl] (E)-octadec-9-enoate

Systemtic Name: [(E)-4-aminocarbonyl-3-[(E)-octadec-9-enoyl]oxy-icos-11-enyl] (E)-octadec-9-enoate Openeye Name: [(E)-4-carbamoyl-3-[(E)-octadec-9-enoyl]oxy-icos-11-enyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(E)-4-carbamoyl-3-[(E)-1-oxooctadec-9-enoxy]eicos-11-enyl] ester IUPAC Name: [(E)-4-carbamoyl-3-[(E)-octadec-9-enoyl]oxyicos-11-enyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(E)-4-carbamoyl-3-[(E)-octadec-9-enoyl]oxy-eicos-11-enyl] ester Formula: C57H105NO5 MolecularWeight: 884.4473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCCC(C(CCCCCCC=CCCCCCCCC)C(=O)N)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCC(C(CCCCCC/C=C/CCCCCCCC)C(=O)N)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C57H105NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(59)62-52-51-54(53(57(58)61)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)63-56(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,53-54H,4-24,31-52H2,1-3H3,(H2,58,61)/b28-25+,29-26+,30-27+