4-[(3-phosphonophenyl)methyl]piperazine-2-carboxylic acid

Systemtic Name: 4-[(3-phosphonophenyl)methyl]piperazine-2-carboxylic acid Openeye Name: 4-[(3-phosphonophenyl)methyl]piperazine-2-carboxylic acid CAS Name: 4-[(3-phosphonophenyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 4-[(3-phosphonophenyl)methyl]piperazine-2-carboxylic acid Traditional Name: 4-(3-phosphonobenzyl)piperazine-2-carboxylic acid Formula: C12H17N2O5P MolecularWeight: 300.247541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N2O5P/c15-12(16)11-8-14(5-4-13-11)7-9-2-1-3-10(6-9)20(17,18)19/h1-3,6,11,13H,4-5,7-8H2,(H,15,16)(H2,17,18,19)