tert-butyl 4-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(3-acetyl-2,4,6-trimethyl-phenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(3-acetyl-2,4,6-trimethyl-benzyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CN2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CN2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H32N2O3/c1-14-12-15(2)19(17(4)24)16(3)18(14)13-22-8-10-23(11-9-22)20(25)26-21(5,6)7/h12H,8-11,13H2,1-7H3