2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(4-bromo-2-methylol-phenoxy)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H18BrNO5 MolecularWeight: 408.24322

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)CO)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC3=C(C=C(C=C3)Br)CO)OC1

InChI

InChI=1S/C18H18BrNO5/c19-13-2-4-15(12(8-13)10-21)25-11-18(22)20-14-3-5-16-17(9-14)24-7-1-6-23-16/h2-5,8-9,21H,1,6-7,10-11H2,(H,20,22)