(4-bromophenyl) (2S,5R)-2,5-dimethylpiperazine-1-carboxylate

Systemtic Name: (4-bromophenyl) (2S,5R)-2,5-dimethylpiperazine-1-carboxylate Openeye Name: (4-bromophenyl) (2S,5R)-2,5-dimethylpiperazine-1-carboxylate CAS Name: (2S,5R)-2,5-dimethyl-1-piperazinecarboxylic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) (2S,5R)-2,5-dimethylpiperazine-1-carboxylate Traditional Name: (2S,5R)-2,5-dimethylpiperazine-1-carboxylic acid (4-bromophenyl) ester Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1C(=O)OC2=CC=C(C=C2)Br)C

Isomeric SMILES

C[C@H]1CN[C@@H](CN1C(=O)OC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C13H17BrN2O2/c1-9-8-16(10(2)7-15-9)13(17)18-12-5-3-11(14)4-6-12/h3-6,9-10,15H,7-8H2,1-2H3/t9-,10+/m1/s1