(phenylmethyl) (3S)-4-(2-bromanylethanoyl)-3-(hydroxymethyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S)-4-(2-bromanylethanoyl)-3-(hydroxymethyl)piperazine-1-carboxylate Openeye Name: benzyl (3S)-4-(2-bromoacetyl)-3-(hydroxymethyl)piperazine-1-carboxylate CAS Name: (3S)-4-(2-bromo-1-oxoethyl)-3-(hydroxymethyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-(2-bromoacetyl)-3-(hydroxymethyl)piperazine-1-carboxylate Traditional Name: (3S)-4-(2-bromoacetyl)-3-methylol-piperazine-1-carboxylic acid benzyl ester Formula: C15H19BrN2O4 MolecularWeight: 371.22636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)CO)C(=O)CBr

Isomeric SMILES

C1CN([C@@H](CN1C(=O)OCC2=CC=CC=C2)CO)C(=O)CBr

InChI

InChI=1S/C15H19BrN2O4/c16-8-14(20)18-7-6-17(9-13(18)10-19)15(21)22-11-12-4-2-1-3-5-12/h1-5,13,19H,6-11H2/t13-/m0/s1