3-[3-[[3-(1H-indol-5-yloxy)-2-oxidanyl-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: 3-[3-[[3-(1H-indol-5-yloxy)-2-oxidanyl-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[3-[[2-hydroxy-3-(1H-indol-5-yloxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[3-[[2-hydroxy-3-(1H-indol-5-yloxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[3-[[2-hydroxy-3-(1H-indol-5-yloxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[3-[[2-hydroxy-3-(1H-indol-5-yloxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC4=C(C=C3)NC=C4)O)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC4=C(C=C3)NC=C4)O)C(=O)O

InChI

InChI=1S/C23H26N2O6/c26-17(14-29-18-6-7-19-16(12-18)8-11-25-19)13-24-10-3-9-23(22(27)28)15-30-20-4-1-2-5-21(20)31-23/h1-2,4-8,11-12,17,24-26H,3,9-10,13-15H2,(H,27,28)