(phenylmethyl) 6-acetyloxy-5-bromanyl-2-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate

Systemtic Name: (phenylmethyl) 6-acetyloxy-5-bromanyl-2-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Openeye Name: benzyl 6-acetoxy-5-bromo-2-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate CAS Name: 6-acetyloxy-5-bromo-2-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-acetyloxy-5-bromo-2-(hydroxymethyl)-3-azabicyclo[2.1.1]hexane-3-carboxylate Traditional Name: 6-acetoxy-5-bromo-2-methylol-3-azabicyclo[2.1.1]hexane-3-carboxylic acid benzyl ester Formula: C16H18BrNO5 MolecularWeight: 384.22182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C2C(N(C1C2Br)C(=O)OCC3=CC=CC=C3)CO

Isomeric SMILES

CC(=O)OC1C2C(N(C1C2Br)C(=O)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C16H18BrNO5/c1-9(20)23-15-12-11(7-19)18(14(15)13(12)17)16(21)22-8-10-5-3-2-4-6-10/h2-6,11-15,19H,7-8H2,1H3