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

Systemtic Name: 4-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(3-chlorophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 4-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(3-chlorobenzyl)piperazine-2-carboxylic acid Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1C(=O)O)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C17H23ClN2O4/c1-17(2,3)24-16(23)20-8-7-19(11-14(20)15(21)22)10-12-5-4-6-13(18)9-12/h4-6,9,14H,7-8,10-11H2,1-3H3,(H,21,22)