4-[[2-(phosphonomethyl)phenyl]methyl]piperazine-2-carboxylic acid

Systemtic Name: 4-[[2-(phosphonomethyl)phenyl]methyl]piperazine-2-carboxylic acid Openeye Name: 4-[[2-(phosphonomethyl)phenyl]methyl]piperazine-2-carboxylic acid CAS Name: 4-[[2-(phosphonomethyl)phenyl]methyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[[2-(phosphonomethyl)phenyl]methyl]piperazine-2-carboxylic acid Traditional Name: 4-[2-(phosphonomethyl)benzyl]piperazine-2-carboxylic acid Formula: C13H19N2O5P MolecularWeight: 314.274121

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)O)CC2=CC=CC=C2CP(=O)(O)O

Isomeric SMILES

C1CN(CC(N1)C(=O)O)CC2=CC=CC=C2CP(=O)(O)O

InChI

InChI=1S/C13H19N2O5P/c16-13(17)12-8-15(6-5-14-12)7-10-3-1-2-4-11(10)9-21(18,19)20/h1-4,12,14H,5-9H2,(H,16,17)(H2,18,19,20)