3-(phenylmethyl)piperazine-1,3-dicarboxylic acid

Systemtic Name: 3-(phenylmethyl)piperazine-1,3-dicarboxylic acid Openeye Name: 3-benzylpiperazine-1,3-dicarboxylic acid CAS Name: 3-(phenylmethyl)piperazine-1,3-dicarboxylic acid IUPAC Name: 3-benzylpiperazine-1,3-dicarboxylic acid Traditional Name: 3-benzylpiperazine-1,3-dicarboxylic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)(CC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC(N1)(CC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

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