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

Systemtic Name: [(E)-4-aminocarbonyl-4-methyl-3-[(E)-octadec-9-enoyl]oxy-icos-11-enyl] (E)-octadec-9-enoate Openeye Name: [(E)-4-carbamoyl-4-methyl-3-[(E)-octadec-9-enoyl]oxy-icos-11-enyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(E)-4-carbamoyl-4-methyl-3-[(E)-1-oxooctadec-9-enoxy]eicos-11-enyl] ester IUPAC Name: [(E)-4-carbamoyl-4-methyl-3-[(E)-octadec-9-enoyl]oxyicos-11-enyl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(E)-4-carbamoyl-4-methyl-3-[(E)-octadec-9-enoyl]oxy-eicos-11-enyl] ester Formula: C58H107NO5 MolecularWeight: 898.47388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H107NO5/c1-5-8-11-14-17-20-23-26-29-31-34-37-40-43-46-49-55(60)63-53-51-54(64-56(61)50-47-44-41-38-35-32-30-27-24-21-18-15-12-9-6-2)58(4,57(59)62)52-48-45-42-39-36-33-28-25-22-19-16-13-10-7-3/h26-30,33,54H,5-25,31-32,34-53H2,1-4H3,(H2,59,62)/b29-26+,30-27+,33-28+