[(2R,3S)-1-bromanyl-3-phenylazanyl-butan-2-yl] benzoate

Systemtic Name: [(2R,3S)-1-bromanyl-3-phenylazanyl-butan-2-yl] benzoate Openeye Name: [(1R,2S)-2-anilino-1-(bromomethyl)propyl] benzoate CAS Name: benzoic acid [(2R,3S)-3-anilino-1-bromobutan-2-yl] ester IUPAC Name: [(2R,3S)-3-anilino-1-bromobutan-2-yl] benzoate Traditional Name: benzoic acid [(1R,2S)-2-anilino-1-(bromomethyl)propyl] ester Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CBr)OC(=O)C1=CC=CC=C1)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@H](CBr)OC(=O)C1=CC=CC=C1)NC2=CC=CC=C2

InChI

InChI=1S/C17H18BrNO2/c1-13(19-15-10-6-3-7-11-15)16(12-18)21-17(20)14-8-4-2-5-9-14/h2-11,13,16,19H,12H2,1H3/t13-,16-/m0/s1