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

Systemtic Name: 2-(phenylmethyl)piperazine-1,2,4-tricarboxylic acid Openeye Name: 2-benzylpiperazine-1,2,4-tricarboxylic acid CAS Name: 2-(phenylmethyl)piperazine-1,2,4-tricarboxylic acid IUPAC Name: 2-benzylpiperazine-1,2,4-tricarboxylic acid Traditional Name: 2-benzylpiperazine-1,2,4-tricarboxylic acid Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c17-11(18)14(8-10-4-2-1-3-5-10)9-15(12(19)20)6-7-16(14)13(21)22/h1-5H,6-9H2,(H,17,18)(H,19,20)(H,21,22)