1-(3-chlorophenyl)carbonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 1-(3-chlorophenyl)carbonyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-1-(3-chlorobenzoyl)piperazine-2-carboxylic acid CAS Name: 1-[(3-chlorophenyl)-oxomethyl]-4-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 1-(3-chlorobenzoyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-1-(3-chlorobenzoyl)piperazine-2-carboxylic acid Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H21ClN2O5/c1-17(2,3)25-16(24)19-7-8-20(13(10-19)15(22)23)14(21)11-5-4-6-12(18)9-11/h4-6,9,13H,7-8,10H2,1-3H3,(H,22,23)