5-[[(2-naphthalen-1-yloxy-2-oxidanyl-ethyl)amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Systemtic Name: 5-[[(2-naphthalen-1-yloxy-2-oxidanyl-ethyl)amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid Openeye Name: 5-[[[2-hydroxy-2-(1-naphthyloxy)ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid CAS Name: 5-[[[2-hydroxy-2-(1-naphthalenyloxy)ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid IUPAC Name: 5-[[(2-hydroxy-2-naphthalen-1-yloxyethyl)amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid Traditional Name: 5-[[[2-hydroxy-2-(1-naphthoxy)ethyl]amino]methyl]-1,3-benzodioxole-2,2-dicarboxylic acid Formula: C22H19NO8 MolecularWeight: 425.38816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OC(CNCC3=CC4=C(C=C3)OC(O4)(C(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OC(CNCC3=CC4=C(C=C3)OC(O4)(C(=O)O)C(=O)O)O

InChI

InChI=1S/C22H19NO8/c24-19(29-16-7-3-5-14-4-1-2-6-15(14)16)12-23-11-13-8-9-17-18(10-13)31-22(30-17,20(25)26)21(27)28/h1-10,19,23-24H,11-12H2,(H,25,26)(H,27,28)