5-oxidanylidene-6-(phenylmethyl)piperazine-1,3-dicarboxylic acid

Systemtic Name: 5-oxidanylidene-6-(phenylmethyl)piperazine-1,3-dicarboxylic acid Openeye Name: 6-benzyl-5-oxo-piperazine-1,3-dicarboxylic acid CAS Name: 5-oxo-6-(phenylmethyl)piperazine-1,3-dicarboxylic acid IUPAC Name: 6-benzyl-5-oxopiperazine-1,3-dicarboxylic acid Traditional Name: 6-benzyl-5-keto-piperazine-1,3-dicarboxylic acid Formula: C13H14N2O5 MolecularWeight: 278.26066

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)C(N1C(=O)O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1C(NC(=O)C(N1C(=O)O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O5/c16-11-10(6-8-4-2-1-3-5-8)15(13(19)20)7-9(14-11)12(17)18/h1-5,9-10H,6-7H2,(H,14,16)(H,17,18)(H,19,20)