[(4R,5S)-1,5-dimethyl-4-phenyl-4,5-dihydroimidazol-2-yl] 2-bromanylethanoate

Systemtic Name: [(4R,5S)-1,5-dimethyl-4-phenyl-4,5-dihydroimidazol-2-yl] 2-bromanylethanoate Openeye Name: [(4R,5S)-1,5-dimethyl-4-phenyl-4,5-dihydroimidazol-2-yl] 2-bromoacetate CAS Name: 2-bromoacetic acid [(4R,5S)-1,5-dimethyl-4-phenyl-4,5-dihydroimidazol-2-yl] ester IUPAC Name: [(4R,5S)-1,5-dimethyl-4-phenyl-4,5-dihydroimidazol-2-yl] 2-bromoacetate Traditional Name: 2-bromoacetic acid [(4R,5S)-1,5-dimethyl-4-phenyl-2-imidazolin-2-yl] ester Formula: C13H15BrN2O2 MolecularWeight: 311.1744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N=C(N1C)OC(=O)CBr)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1[C@H](N=C(N1C)OC(=O)CBr)C2=CC=CC=C2

InChI

InChI=1S/C13H15BrN2O2/c1-9-12(10-6-4-3-5-7-10)15-13(16(9)2)18-11(17)8-14/h3-7,9,12H,8H2,1-2H3/t9-,12-/m0/s1