[2-(methylamino)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-(methylamino)ethyl] ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)CCCOC1=CC(=CC=C1)Br

Isomeric SMILES

CNC(=O)COC(=O)CCCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H16BrNO4/c1-15-12(16)9-19-13(17)6-3-7-18-11-5-2-4-10(14)8-11/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,16)