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

Systemtic Name: 3-[3-[[3-(2-methoxy-4-oxidanyl-phenoxy)-2-oxidanyl-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[3-[[2-hydroxy-3-(4-hydroxy-2-methoxy-phenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[3-[[2-hydroxy-3-(4-hydroxy-2-methoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[3-[[2-hydroxy-3-(4-hydroxy-2-methoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[3-[[2-hydroxy-3-(4-hydroxy-2-methoxy-phenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid Formula: C22H27NO8 MolecularWeight: 433.45168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO8/c1-28-20-11-15(24)7-8-18(20)29-13-16(25)12-23-10-4-9-22(21(26)27)14-30-17-5-2-3-6-19(17)31-22/h2-3,5-8,11,16,23-25H,4,9-10,12-14H2,1H3,(H,26,27)