[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl] 4-bromanylbenzoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl] 4-bromanylbenzoate Openeye Name: [(1S)-2-amino-1-benzyl-2-oxo-ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxo-3-phenylpropan-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(1S)-2-amino-1-benzyl-2-keto-ethyl] ester Formula: C16H14BrNO3 MolecularWeight: 348.19126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrNO3/c17-13-8-6-12(7-9-13)16(20)21-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H2,18,19)/t14-/m0/s1