[(E)-5-aminocarbonyl-4-[(E)-octadec-9-enoyl]oxy-henicos-12-en-3-yl] (E)-octadec-9-enoate

Systemtic Name: [(E)-5-aminocarbonyl-4-[(E)-octadec-9-enoyl]oxy-henicos-12-en-3-yl] (E)-octadec-9-enoate Openeye Name: [(E)-3-carbamoyl-1-ethyl-2-[(E)-octadec-9-enoyl]oxy-nonadec-10-enyl] (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid [(E)-5-carbamoyl-4-[(E)-1-oxooctadec-9-enoxy]heneicos-12-en-3-yl] ester IUPAC Name: [(E)-5-carbamoyl-4-[(E)-octadec-9-enoyl]oxyhenicos-12-en-3-yl] (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoic acid [(E)-3-carbamoyl-1-ethyl-2-[(E)-octadec-9-enoyl]oxy-nonadec-10-enyl] ester Formula: C58H107NO5 MolecularWeight: 898.47388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C58H107NO5/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-55(60)63-54(8-4)57(53(58(59)62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3)64-56(61)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2/h27-32,53-54,57H,5-26,33-52H2,1-4H3,(H2,59,62)/b30-27+,31-28+,32-29+