18-[2-azanylpropyl-(18-oxidanylidene-18-tetradecoxy-octadecyl)amino]octadecanoic acid

Systemtic Name: 18-[2-azanylpropyl-(18-oxidanylidene-18-tetradecoxy-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-(18-oxo-18-tetradecoxy-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-(18-oxo-18-tetradecoxyoctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-(18-oxo-18-tetradecoxyoctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-(18-keto-18-myristyloxy-octadecyl)amino]stearic acid Formula: C53H106N2O4 MolecularWeight: 835.41974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C53H106N2O4/c1-3-4-5-6-7-8-9-24-29-34-39-44-49-59-53(58)46-41-36-31-26-21-17-13-11-15-19-23-28-33-38-43-48-55(50-51(2)54)47-42-37-32-27-22-18-14-10-12-16-20-25-30-35-40-45-52(56)57/h51H,3-50,54H2,1-2H3,(H,56,57)