16-[2-azanylpropyl-(16-dodecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid

Systemtic Name: 16-[2-azanylpropyl-(16-dodecoxy-16-oxidanylidene-hexadecyl)amino]hexadecanoic acid Openeye Name: 16-[2-aminopropyl-(16-dodecoxy-16-oxo-hexadecyl)amino]hexadecanoic acid CAS Name: 16-[2-aminopropyl-(16-dodecoxy-16-oxohexadecyl)amino]hexadecanoic acid IUPAC Name: 16-[2-aminopropyl-(16-dodecoxy-16-oxohexadecyl)amino]hexadecanoic acid Traditional Name: 16-[2-aminopropyl-(16-keto-16-lauryloxy-hexadecyl)amino]palmitic acid Formula: C47H94N2O4 MolecularWeight: 751.26026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C47H94N2O4/c1-3-4-5-6-7-8-23-28-33-38-43-53-47(52)40-35-30-25-20-16-12-10-14-18-22-27-32-37-42-49(44-45(2)48)41-36-31-26-21-17-13-9-11-15-19-24-29-34-39-46(50)51/h45H,3-44,48H2,1-2H3,(H,50,51)