3-[4-[2-[butan-2-yloxycarbonyl(4-phenoxybutyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[2-[butan-2-yloxycarbonyl(4-phenoxybutyl)amino]ethoxy]phenyl]-2-ethoxy-propanoic acid Openeye Name: 2-ethoxy-3-[4-[2-[4-phenoxybutyl(sec-butoxycarbonyl)amino]ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-[[butan-2-yloxy(oxo)methyl]-(4-phenoxybutyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[2-[butan-2-yloxycarbonyl(4-phenoxybutyl)amino]ethoxy]phenyl]-2-ethoxypropanoic acid Traditional Name: 2-ethoxy-3-[4-[2-[4-phenoxybutyl(sec-butoxycarbonyl)amino]ethoxy]phenyl]propionic acid Formula: C28H39NO7 MolecularWeight: 501.61176

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)N(CCCCOC1=CC=CC=C1)CCOC2=CC=C(C=C2)CC(C(=O)O)OCC

Isomeric SMILES

CCC(C)OC(=O)N(CCCCOC1=CC=CC=C1)CCOC2=CC=C(C=C2)CC(C(=O)O)OCC

InChI

InChI=1S/C28H39NO7/c1-4-22(3)36-28(32)29(17-9-10-19-34-24-11-7-6-8-12-24)18-20-35-25-15-13-23(14-16-25)21-26(27(30)31)33-5-2/h6-8,11-16,22,26H,4-5,9-10,17-21H2,1-3H3,(H,30,31)