[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [(2S)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [(1S)-2-amino-1-methyl-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [(2S)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-amino-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [(1S)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C13H16BrNO4 MolecularWeight: 330.17444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO4/c1-9(13(15)17)19-12(16)6-3-7-18-11-5-2-4-10(14)8-11/h2,4-5,8-9H,3,6-7H2,1H3,(H2,15,17)/t9-/m0/s1