tert-butyl (2S)-2-butyl-4-(3-chlorophenyl)-5-oxidanylidene-piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-butyl-4-(3-chlorophenyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-butyl-4-(3-chlorophenyl)-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-2-butyl-4-(3-chlorophenyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-butyl-4-(3-chlorophenyl)-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-2-butyl-4-(3-chlorophenyl)-5-keto-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27ClN2O3 MolecularWeight: 366.88228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl

Isomeric SMILES

CCCC[C@H]1CN(C(=O)CN1C(=O)OC(C)(C)C)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H27ClN2O3/c1-5-6-9-16-12-21(15-10-7-8-14(20)11-15)17(23)13-22(16)18(24)25-19(2,3)4/h7-8,10-11,16H,5-6,9,12-13H2,1-4H3/t16-/m0/s1