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

Systemtic Name: 3-[3-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[3-[(2-hydroxy-3-phenoxypropyl)amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[3-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c23-16(14-26-17-7-2-1-3-8-17)13-22-12-6-11-21(20(24)25)15-27-18-9-4-5-10-19(18)28-21/h1-5,7-10,16,22-23H,6,11-15H2,(H,24,25)