1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-[(3-chlorophenyl)-phenyl-carbamoyl]-4-phenylmethoxycarbonyl-piperazine-2-carboxylic acid Openeye Name: 4-benzyloxycarbonyl-1-[(3-chlorophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid CAS Name: 1-[(N-(3-chlorophenyl)anilino)-oxomethyl]-4-phenylmethoxycarbonyl-2-piperazinecarboxylic acid IUPAC Name: 1-[(3-chlorophenyl)-phenylcarbamoyl]-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid Traditional Name: 4-carbobenzoxy-1-[(3-chlorophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Formula: C26H24ClN3O5 MolecularWeight: 493.93886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C(=O)N(C3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(C(CN1C(=O)OCC2=CC=CC=C2)C(=O)O)C(=O)N(C3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H24ClN3O5/c27-20-10-7-13-22(16-20)30(21-11-5-2-6-12-21)25(33)29-15-14-28(17-23(29)24(31)32)26(34)35-18-19-8-3-1-4-9-19/h1-13,16,23H,14-15,17-18H2,(H,31,32)