2-[(4-fluorophenyl)methyl]piperazine-1,2,4-tricarboxylic acid

Systemtic Name: 2-[(4-fluorophenyl)methyl]piperazine-1,2,4-tricarboxylic acid Openeye Name: 2-[(4-fluorophenyl)methyl]piperazine-1,2,4-tricarboxylic acid CAS Name: 2-[(4-fluorophenyl)methyl]piperazine-1,2,4-tricarboxylic acid IUPAC Name: 2-[(4-fluorophenyl)methyl]piperazine-1,2,4-tricarboxylic acid Traditional Name: 2-(4-fluorobenzyl)piperazine-1,2,4-tricarboxylic acid Formula: C14H15FN2O6 MolecularWeight: 326.277103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15FN2O6/c15-10-3-1-9(2-4-10)7-14(11(18)19)8-16(12(20)21)5-6-17(14)13(22)23/h1-4H,5-8H2,(H,18,19)(H,20,21)(H,22,23)