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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC=CC4=C3C=CN4)O)C(=O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)(CCCNCC(COC3=CC=CC4=C3C=CN4)O)C(=O)O

InChI

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