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

Systemtic Name: ethyl 2-ethoxy-5-[2-[(5-fluoranyl-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]-1-oxidanyl-ethyl]benzoate Openeye Name: ethyl 2-ethoxy-5-[2-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]-1-hydroxy-ethyl]benzoate CAS Name: 2-ethoxy-5-[2-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]-1-hydroxyethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-5-[2-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]-1-hydroxyethyl]benzoate Traditional Name: 2-ethoxy-5-[2-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methylamino]-1-hydroxy-ethyl]benzoic acid ethyl ester Formula: C22H26FNO6 MolecularWeight: 419.443343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNCC2COC3=C(O2)C(=CC=C3)F)O)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CNCC2COC3=C(O2)C(=CC=C3)F)O)C(=O)OCC

InChI

InChI=1S/C22H26FNO6/c1-3-27-19-9-8-14(10-16(19)22(26)28-4-2)18(25)12-24-11-15-13-29-20-7-5-6-17(23)21(20)30-15/h5-10,15,18,24-25H,3-4,11-13H2,1-2H3