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

Systemtic Name: 2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-bromo-2-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-(4-bromo-2-methylol-phenoxy)-1-pyrrolidino-ethanone Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)Br)CO

Isomeric SMILES

C1CCN(C1)C(=O)COC2=C(C=C(C=C2)Br)CO

InChI

InChI=1S/C13H16BrNO3/c14-11-3-4-12(10(7-11)8-16)18-9-13(17)15-5-1-2-6-15/h3-4,7,16H,1-2,5-6,8-9H2