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

Systemtic Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)carbonyl-2-(2-methoxyethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-4-(2,3-dimethylbenzoyl)-2-(2-methoxyethyl)piperazine-1-carboxylate CAS Name: (2S)-4-[(2,3-dimethylphenyl)-oxomethyl]-2-(2-methoxyethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-(2,3-dimethylbenzoyl)-2-(2-methoxyethyl)piperazine-1-carboxylate Traditional Name: (2S)-4-(2,3-dimethylbenzoyl)-2-(2-methoxyethyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)N2CCN(C(C2)CCOC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N2CCN([C@H](C2)CCOC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O4/c1-15-8-7-9-18(16(15)2)19(24)22-11-12-23(17(14-22)10-13-26-6)20(25)27-21(3,4)5/h7-9,17H,10-14H2,1-6H3/t17-/m0/s1