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

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

Systemtic Name:4-[(2-phosphonophenyl)methyl]piperazine-2-carboxylic acid
Openeye Name:4-[(2-phosphonophenyl)methyl]piperazine-2-carboxylic acid
CAS Name:4-[(2-phosphonophenyl)methyl]-2-piperazinecarboxylic acid
IUPAC Name:4-[(2-phosphonophenyl)methyl]piperazine-2-carboxylic acid
Traditional Name:4-(2-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=C2P(=O)(O)O


Isomeric SMILES

C1CN(CC(N1)C(=O)O)CC2=CC=CC=C2P(=O)(O)O


InChI

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


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