methyl 3-[4-[3-[2-(3-aminocarbonyl-4-oxidanyl-phenoxy)ethylamino]-2-oxidanyl-propoxy]phenoxy]propanoate

Systemtic Name: methyl 3-[4-[3-[2-(3-aminocarbonyl-4-oxidanyl-phenoxy)ethylamino]-2-oxidanyl-propoxy]phenoxy]propanoate Openeye Name: methyl 3-[4-[3-[2-(3-carbamoyl-4-hydroxy-phenoxy)ethylamino]-2-hydroxy-propoxy]phenoxy]propanoate CAS Name: 3-[4-[3-[2-(3-carbamoyl-4-hydroxyphenoxy)ethylamino]-2-hydroxypropoxy]phenoxy]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-[2-(3-carbamoyl-4-hydroxyphenoxy)ethylamino]-2-hydroxypropoxy]phenoxy]propanoate Traditional Name: 3-[4-[3-[2-(3-carbamoyl-4-hydroxy-phenoxy)ethylamino]-2-hydroxy-propoxy]phenoxy]propionic acid methyl ester Formula: C22H28N2O8 MolecularWeight: 448.46632

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCOC1=CC=C(C=C1)OCC(CNCCOC2=CC(=C(C=C2)O)C(=O)N)O

Isomeric SMILES

COC(=O)CCOC1=CC=C(C=C1)OCC(CNCCOC2=CC(=C(C=C2)O)C(=O)N)O

InChI

InChI=1S/C22H28N2O8/c1-29-21(27)8-10-30-16-2-4-17(5-3-16)32-14-15(25)13-24-9-11-31-18-6-7-20(26)19(12-18)22(23)28/h2-7,12,15,24-26H,8-11,13-14H2,1H3,(H2,23,28)