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

Systemtic Name: 12-[2-azanylpropyl-(12-decoxy-12-oxidanylidene-dodecyl)amino]dodecanoic acid Openeye Name: 12-[2-aminopropyl-(12-decoxy-12-oxo-dodecyl)amino]dodecanoic acid CAS Name: 12-[2-aminopropyl-(12-decoxy-12-oxododecyl)amino]dodecanoic acid IUPAC Name: 12-[2-aminopropyl-(12-decoxy-12-oxododecyl)amino]dodecanoic acid Traditional Name: 12-[2-aminopropyl-(12-decoxy-12-keto-dodecyl)amino]lauric acid Formula: C37H74N2O4 MolecularWeight: 610.99446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H74N2O4/c1-3-4-5-6-7-18-23-28-33-43-37(42)30-25-20-15-11-9-13-17-22-27-32-39(34-35(2)38)31-26-21-16-12-8-10-14-19-24-29-36(40)41/h35H,3-34,38H2,1-2H3,(H,40,41)