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

Systemtic Name: 3-[3-[[2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[3-[[3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[3-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[3-[[2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[3-[[3-(4-benzoxyphenoxy)-2-hydroxy-propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid Formula: C28H31NO7 MolecularWeight: 493.54824

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC=C(C=C3)OCC4=CC=CC=C4)O)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC=C(C=C3)OCC4=CC=CC=C4)O)C(=O)O

InChI

InChI=1S/C28H31NO7/c30-22(19-34-24-13-11-23(12-14-24)33-18-21-7-2-1-3-8-21)17-29-16-6-15-28(27(31)32)20-35-25-9-4-5-10-26(25)36-28/h1-5,7-14,22,29-30H,6,15-20H2,(H,31,32)