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

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-oxidanyl-ethyl]benzoic acid Openeye Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxy-ethyl]benzoic acid CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxyethyl]benzoic acid IUPAC Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxyethyl]benzoic acid Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-1-hydroxy-ethyl]benzoic acid Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO5/c20-15(12-4-3-5-13(8-12)18(21)22)10-19-9-14-11-23-16-6-1-2-7-17(16)24-14/h1-8,14-15,19-20H,9-11H2,(H,21,22)