3-[1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid Openeye Name: 3-[1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-(phosphonomethyl)-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[1-(phosphonomethyl)benzimidazol-2-yl]propanoic acid Traditional Name: 3-[1-(phosphonomethyl)benzimidazol-2-yl]propionic acid Formula: C11H13N2O5P MolecularWeight: 284.205081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2CP(=O)(O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2CP(=O)(O)O)CCC(=O)O

InChI

InChI=1S/C11H13N2O5P/c14-11(15)6-5-10-12-8-3-1-2-4-9(8)13(10)7-19(16,17)18/h1-4H,5-7H2,(H,14,15)(H2,16,17,18)