tert-butyl 4-[3-acetamido-3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-acetamido-3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-acetamido-3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-acetamido-3-(4-chlorophenyl)-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-acetamido-3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-acetamido-3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O4 MolecularWeight: 409.90702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCN(CC1)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H28ClN3O4/c1-14(25)22-17(15-5-7-16(21)8-6-15)13-18(26)23-9-11-24(12-10-23)19(27)28-20(2,3)4/h5-8,17H,9-13H2,1-4H3,(H,22,25)