12-[2-azanylpropyl-(12-dodecoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid

Systemtic Name: 12-[2-azanylpropyl-(12-dodecoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid Openeye Name: 12-[2-aminopropyl-(12-dodecoxy-12-oxo-dodecyl)amino]dodecanoic acid CAS Name: 12-[2-aminopropyl-(12-dodecoxy-12-oxododecyl)amino]dodecanoic acid IUPAC Name: 12-[2-aminopropyl-(12-dodecoxy-12-oxododecyl)amino]dodecanoic acid Traditional Name: 12-[2-aminopropyl-(12-keto-12-lauryloxy-dodecyl)amino]lauric acid Formula: C39H78N2O4 MolecularWeight: 639.04762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CC(C)N

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CCCCCCCCCCCN(CCCCCCCCCCCC(=O)O)CC(C)N

InChI

InChI=1S/C39H78N2O4/c1-3-4-5-6-7-8-15-20-25-30-35-45-39(44)32-27-22-17-12-10-14-19-24-29-34-41(36-37(2)40)33-28-23-18-13-9-11-16-21-26-31-38(42)43/h37H,3-36,40H2,1-2H3,(H,42,43)