(phenylmethyl) 3-(2-bromanylpropanoylamino)propanoate

Systemtic Name: (phenylmethyl) 3-(2-bromanylpropanoylamino)propanoate Openeye Name: benzyl 3-(2-bromopropanoylamino)propanoate CAS Name: 3-[(2-bromo-1-oxopropyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-bromopropanoylamino)propanoate Traditional Name: 3-(2-bromopropanoylamino)propionic acid benzyl ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)OCC1=CC=CC=C1)Br

Isomeric SMILES

CC(C(=O)NCCC(=O)OCC1=CC=CC=C1)Br

InChI

InChI=1S/C13H16BrNO3/c1-10(14)13(17)15-8-7-12(16)18-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,15,17)