1-[(3,4-dichlorophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[(3,4-dichlorophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-(3,4-dichlorobenzyl)piperazine-2-carboxylic acid Formula: C20H20Cl2N2O4 MolecularWeight: 423.2898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O4/c21-16-7-6-15(10-17(16)22)11-23-8-9-24(12-18(23)19(25)26)20(27)28-13-14-4-2-1-3-5-14/h1-7,10,18H,8-9,11-13H2,(H,25,26)