2-[2-[(E)-docos-13-enoyl]oxyethyl-(phenylcarbonyl)amino]ethyl (E)-docos-13-enoate

Systemtic Name: 2-[2-[(E)-docos-13-enoyl]oxyethyl-(phenylcarbonyl)amino]ethyl (E)-docos-13-enoate Openeye Name: 2-[benzoyl-[2-[(E)-docos-13-enoyl]oxyethyl]amino]ethyl (E)-docos-13-enoate CAS Name: (E)-13-docosenoic acid 2-[benzoyl-[2-[(E)-1-oxodocos-13-enoxy]ethyl]amino]ethyl ester IUPAC Name: 2-[benzoyl-[2-[(E)-docos-13-enoyl]oxyethyl]amino]ethyl (E)-docos-13-enoate Traditional Name: (E)-docos-13-enoic acid 2-[benzoyl-[2-[(E)-docos-13-enoyl]oxyethyl]amino]ethyl ester Formula: C55H95NO5 MolecularWeight: 850.3465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCC=CCCCCCCCC)C(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCCN(C(=O)C1=CC=CC=C1)CCOC(=O)CCCCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C55H95NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42-46-53(57)60-50-48-56(55(59)52-44-40-39-41-45-52)49-51-61-54(58)47-43-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-41,44-45H,3-16,21-38,42-43,46-51H2,1-2H3/b19-17+,20-18+