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

Systemtic Name: [(2S)-1-(2-methoxyethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-bromanylphenoxy)butanoate Openeye Name: [(1S)-2-(2-methoxyethylamino)-1-methyl-2-oxo-ethyl] 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid [(1S)-2-keto-2-(2-methoxyethylamino)-1-methyl-ethyl] ester Formula: C16H22BrNO5 MolecularWeight: 388.25358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO5/c1-12(16(20)18-9-11-21-2)23-15(19)4-3-10-22-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20)/t12-/m0/s1