5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxy-ethyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxyethyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxyethyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxy-ethyl]-2-hydroxy-benzoic acid Formula: C18H19NO6 MolecularWeight: 345.34656

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)CNCC(C3=CC(=C(C=C3)O)C(=O)O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)CNCC(C3=CC(=C(C=C3)O)C(=O)O)O

InChI

InChI=1S/C18H19NO6/c20-14-6-5-11(7-13(14)18(22)23)15(21)9-19-8-12-10-24-16-3-1-2-4-17(16)25-12/h1-7,12,15,19-21H,8-10H2,(H,22,23)