methyl (2S)-2-(4-bromophenyl)-3-[(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-2-(4-bromophenyl)-3-[(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-3-(benzylamino)-2-(4-bromophenyl)propanoate CAS Name: (2S)-2-(4-bromophenyl)-3-[(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(benzylamino)-2-(4-bromophenyl)propanoate Traditional Name: (2S)-3-(benzylamino)-2-(4-bromophenyl)propionic acid methyl ester Formula: C17H18BrNO2 MolecularWeight: 348.23432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CNCC1=CC=CC=C1)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H](CNCC1=CC=CC=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrNO2/c1-21-17(20)16(14-7-9-15(18)10-8-14)12-19-11-13-5-3-2-4-6-13/h2-10,16,19H,11-12H2,1H3/t16-/m1/s1