2-(phenylmethyl)piperazine-1,4-dicarboxylic acid

Systemtic Name: 2-(phenylmethyl)piperazine-1,4-dicarboxylic acid Openeye Name: 2-benzylpiperazine-1,4-dicarboxylic acid CAS Name: 2-(phenylmethyl)piperazine-1,4-dicarboxylic acid IUPAC Name: 2-benzylpiperazine-1,4-dicarboxylic acid Traditional Name: 2-benzylpiperazine-1,4-dicarboxylic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)O)CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CN(C(CN1C(=O)O)CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H16N2O4/c16-12(17)14-6-7-15(13(18)19)11(9-14)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)(H,18,19)