4-[(2,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

Systemtic Name: 4-[(2,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(2,4-dichlorophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 4-[(2,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[(2,4-dichlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(2,4-dichlorobenzyl)piperazine-2-carboxylic acid Formula: C17H22Cl2N2O4 MolecularWeight: 389.27358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22Cl2N2O4/c1-17(2,3)25-16(24)21-7-6-20(10-14(21)15(22)23)9-11-4-5-12(18)8-13(11)19/h4-5,8,14H,6-7,9-10H2,1-3H3,(H,22,23)