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

Systemtic Name: 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid Formula: C19H21NO6 MolecularWeight: 359.37314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1COC2=CC=CC=C2O1)NCC(C3=CC(=C(C=C3)O)C(=O)O)O

Isomeric SMILES

CC(C1COC2=CC=CC=C2O1)NCC(C3=CC(=C(C=C3)O)C(=O)O)O

InChI

InChI=1S/C19H21NO6/c1-11(18-10-25-16-4-2-3-5-17(16)26-18)20-9-15(22)12-6-7-14(21)13(8-12)19(23)24/h2-8,11,15,18,20-22H,9-10H2,1H3,(H,23,24)