3-[3-[[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 3-[3-[[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[3-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(CNCCCC2(COC3=CC=CC=C3O2)C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OCC(CNCCCC2(COC3=CC=CC=C3O2)C(=O)O)O

InChI

InChI=1S/C22H27NO7/c1-27-17-7-9-18(10-8-17)28-14-16(24)13-23-12-4-11-22(21(25)26)15-29-19-5-2-3-6-20(19)30-22/h2-3,5-10,16,23-24H,4,11-15H2,1H3,(H,25,26)