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

Systemtic Name: ethyl 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzoate Openeye Name: ethyl 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxy-ethyl]-2-hydroxy-benzoate CAS Name: 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzoic acid ethyl ester IUPAC Name: ethyl 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxyethyl]-2-hydroxybenzoate Traditional Name: 5-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethylamino]-1-hydroxy-ethyl]-2-hydroxy-benzoic acid ethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C(CNC(C)C2COC3=CC=CC=C3O2)O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C(CNC(C)C2COC3=CC=CC=C3O2)O)O

InChI

InChI=1S/C21H25NO6/c1-3-26-21(25)15-10-14(8-9-16(15)23)17(24)11-22-13(2)20-12-27-18-6-4-5-7-19(18)28-20/h4-10,13,17,20,22-24H,3,11-12H2,1-2H3