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

Systemtic Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-5-oxidanylidene-piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-5-oxo-piperazine-1-carboxylate CAS Name: (2S)-4-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-5-oxo-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)-2-(2-methoxyethyl)-5-oxopiperazine-1-carboxylate Traditional Name: (2S)-4-(2,3-dimethylphenyl)-5-keto-2-(2-methoxyethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30N2O4 MolecularWeight: 362.4632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4/c1-14-8-7-9-17(15(14)2)22-12-16(10-11-25-6)21(13-18(22)23)19(24)26-20(3,4)5/h7-9,16H,10-13H2,1-6H3/t16-/m0/s1