2-[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[[3-(4-bromanylphenoxy)-2-oxidanyl-propyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[[3-(4-bromophenoxy)-2-hydroxy-propyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[3-(4-bromophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[[3-(4-bromophenoxy)-2-hydroxypropyl]-ethylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[3-(4-bromophenoxy)-2-hydroxy-propyl]-ethyl-amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(COC1=CC=C(C=C1)Br)O)CC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCN(CC(COC1=CC=C(C=C1)Br)O)CC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H25BrN2O5/c1-2-24(12-17(25)14-29-18-6-3-15(22)4-7-18)13-21(26)23-16-5-8-19-20(11-16)28-10-9-27-19/h3-8,11,17,25H,2,9-10,12-14H2,1H3,(H,23,26)