(2S)-1,4-bis[(3-chlorophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid

Systemtic Name: (2S)-1,4-bis[(3-chlorophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Openeye Name: (2S)-1,4-bis[(3-chlorophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid CAS Name: (2S)-1,4-bis[(N-(3-chlorophenyl)anilino)-oxomethyl]-2-piperazinecarboxylic acid IUPAC Name: (2S)-1,4-bis[(3-chlorophenyl)-phenylcarbamoyl]piperazine-2-carboxylic acid Traditional Name: (2S)-1,4-bis[(3-chlorophenyl)-phenyl-carbamoyl]piperazine-2-carboxylic acid Formula: C31H26Cl2N4O4 MolecularWeight: 589.46854

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)N(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O)C(=O)N(C4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN([C@@H](CN1C(=O)N(C2=CC=CC=C2)C3=CC(=CC=C3)Cl)C(=O)O)C(=O)N(C4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H26Cl2N4O4/c32-22-9-7-15-26(19-22)36(24-11-3-1-4-12-24)30(40)34-17-18-35(28(21-34)29(38)39)31(41)37(25-13-5-2-6-14-25)27-16-8-10-23(33)20-27/h1-16,19-20,28H,17-18,21H2,(H,38,39)/t28-/m0/s1