1-(azepan-1-yl)-2-[4-bromanyl-2-(hydroxymethyl)phenoxy]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-bromanyl-2-(hydroxymethyl)phenoxy]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone CAS Name: 1-(1-azepanyl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone Traditional Name: 1-(azepan-1-yl)-2-(4-bromo-2-methylol-phenoxy)ethanone Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)CO

Isomeric SMILES

C1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)CO

InChI

InChI=1S/C15H20BrNO3/c16-13-5-6-14(12(9-13)10-18)20-11-15(19)17-7-3-1-2-4-8-17/h5-6,9,18H,1-4,7-8,10-11H2