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

Systemtic Name: 3-[3-[[3-(2-methoxy-4-phenylmethoxy-phenoxy)-2-oxidanyl-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Openeye Name: 3-[3-[[3-(4-benzyloxy-2-methoxy-phenoxy)-2-hydroxy-propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid CAS Name: 3-[3-[[2-hydroxy-3-(2-methoxy-4-phenylmethoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid IUPAC Name: 3-[3-[[2-hydroxy-3-(2-methoxy-4-phenylmethoxyphenoxy)propyl]amino]propyl]-2H-1,4-benzodioxine-3-carboxylic acid Traditional Name: 3-[3-[[3-(4-benzoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]amino]propyl]-2H-1,4-benzodioxin-3-carboxylic acid Formula: C29H33NO8 MolecularWeight: 523.57422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)OCC(CNCCCC3(COC4=CC=CC=C4O3)C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)OCC(CNCCCC3(COC4=CC=CC=C4O3)C(=O)O)O

InChI

InChI=1S/C29H33NO8/c1-34-27-16-23(35-18-21-8-3-2-4-9-21)12-13-25(27)36-19-22(31)17-30-15-7-14-29(28(32)33)20-37-24-10-5-6-11-26(24)38-29/h2-6,8-13,16,22,30-31H,7,14-15,17-20H2,1H3,(H,32,33)