2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]ethanoic acid

Systemtic Name: 2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]ethanoic acid Openeye Name: 2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]acetic acid CAS Name: 2-[[(E)-1-oxo-3-[(E)-1-oxooctadec-9-enoxy]eicos-11-enyl]amino]acetic acid IUPAC Name: 2-[[(E)-3-[(E)-octadec-9-enoyl]oxyicos-11-enoyl]amino]acetic acid Traditional Name: 2-[[(E)-3-[(E)-octadec-9-enoyl]oxyeicos-11-enoyl]amino]acetic acid Formula: C40H73NO5 MolecularWeight: 648.01132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(CC(=O)NCC(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(CC(=O)NCC(=O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C40H73NO5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(35-38(42)41-36-39(43)44)46-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H,41,42)(H,43,44)/b19-17+,20-18+