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

Systemtic Name: 18-[2-azanylpropyl-(18-decoxy-18-oxidanylidene-octadecyl)amino]octadecanoic acid Openeye Name: 18-[2-aminopropyl-(18-decoxy-18-oxo-octadecyl)amino]octadecanoic acid CAS Name: 18-[2-aminopropyl-(18-decoxy-18-oxooctadecyl)amino]octadecanoic acid IUPAC Name: 18-[2-aminopropyl-(18-decoxy-18-oxooctadecyl)amino]octadecanoic acid Traditional Name: 18-[2-aminopropyl-(18-decoxy-18-keto-octadecyl)amino]stearic acid Formula: C49H98N2O4 MolecularWeight: 779.31342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H98N2O4/c1-3-4-5-6-7-30-35-40-45-55-49(54)42-37-32-27-23-19-15-11-9-13-17-21-25-29-34-39-44-51(46-47(2)50)43-38-33-28-24-20-16-12-8-10-14-18-22-26-31-36-41-48(52)53/h47H,3-46,50H2,1-2H3,(H,52,53)