(phenylmethyl) (2R,5S)-4-ethanoyl-2,5-dimethyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-4-ethanoyl-2,5-dimethyl-piperazine-1-carboxylate Openeye Name: benzyl (2R,5S)-4-acetyl-2,5-dimethyl-piperazine-1-carboxylate CAS Name: (2R,5S)-4-acetyl-2,5-dimethyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-4-acetyl-2,5-dimethylpiperazine-1-carboxylate Traditional Name: (2R,5S)-4-acetyl-2,5-dimethyl-piperazine-1-carboxylic acid benzyl ester Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)OCC2=CC=CC=C2)C)C(=O)C

Isomeric SMILES

C[C@@H]1CN([C@H](CN1C(=O)OCC2=CC=CC=C2)C)C(=O)C

InChI

InChI=1S/C16H22N2O3/c1-12-10-18(13(2)9-17(12)14(3)19)16(20)21-11-15-7-5-4-6-8-15/h4-8,12-13H,9-11H2,1-3H3/t12-,13+/m0/s1