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

Systemtic Name: 3-[3-[[2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC=C(C=C3)O)O)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC=C(C=C3)O)O)C(=O)O

InChI

InChI=1S/C21H25NO7/c23-15-6-8-17(9-7-15)27-13-16(24)12-22-11-3-10-21(20(25)26)14-28-18-4-1-2-5-19(18)29-21/h1-2,4-9,16,22-24H,3,10-14H2,(H,25,26)