tert-butyl (2S)-4-(2,3-dimethylphenyl)-2-(2-hydroxyethyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)-2-(2-hydroxyethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)-2-(2-hydroxyethyl)-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-(2,3-dimethylphenyl)-2-(2-hydroxyethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)-2-(2-hydroxyethyl)-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-4-(2,3-dimethylphenyl)-2-(2-hydroxyethyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC(N(CC2=O)C(=O)OC(C)(C)C)CCO)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C[C@@H](N(CC2=O)C(=O)OC(C)(C)C)CCO)C

InChI

InChI=1S/C19H28N2O4/c1-13-7-6-8-16(14(13)2)21-11-15(9-10-22)20(12-17(21)23)18(24)25-19(3,4)5/h6-8,15,22H,9-12H2,1-5H3/t15-/m0/s1