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

Systemtic Name: 2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone CAS Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(4-bromo-2-methylol-phenoxy)ethanone Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Br)CO

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Br)CO

InChI

InChI=1S/C21H24BrNO3/c22-19-6-7-20(18(13-19)14-24)26-15-21(25)23-10-8-17(9-11-23)12-16-4-2-1-3-5-16/h1-7,13,17,24H,8-12,14-15H2