tert-butyl 4-[3-(2,2-dimethylpropanoylamino)phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2,2-dimethylpropanoylamino)phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2,2-dimethylpropanoylamino)benzoyl]piperazine-1-carboxylate CAS Name: 4-[[3-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2,2-dimethylpropanoylamino)benzoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(pivaloylamino)benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31N3O4/c1-20(2,3)18(26)22-16-9-7-8-15(14-16)17(25)23-10-12-24(13-11-23)19(27)28-21(4,5)6/h7-9,14H,10-13H2,1-6H3,(H,22,26)