(phenylmethyl) 2-(2-bromanylbutanoylamino)ethanoate

Systemtic Name: (phenylmethyl) 2-(2-bromanylbutanoylamino)ethanoate Openeye Name: benzyl 2-(2-bromobutanoylamino)acetate CAS Name: 2-[(2-bromo-1-oxobutyl)amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-bromobutanoylamino)acetate Traditional Name: 2-(2-bromobutanoylamino)acetic acid benzyl ester Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC(=O)OCC1=CC=CC=C1)Br

Isomeric SMILES

CCC(C(=O)NCC(=O)OCC1=CC=CC=C1)Br

InChI

InChI=1S/C13H16BrNO3/c1-2-11(14)13(17)15-8-12(16)18-9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,15,17)