[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(4-bromanylphenoxy)butanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(4-bromanylphenoxy)butanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23BrN2O5 MolecularWeight: 415.27892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CCCOC1=CC=C(C=C1)Br

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C17H23BrN2O5/c1-11(2)19-17(23)20-16(22)12(3)25-15(21)5-4-10-24-14-8-6-13(18)7-9-14/h6-9,11-12H,4-5,10H2,1-3H3,(H2,19,20,22,23)/t12-/m0/s1