2-azanyl-3-[1-(phosphonomethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[1-(phosphonomethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propanoic acid Openeye Name: 2-amino-3-[1-(phosphonomethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propanoic acid CAS Name: 2-amino-3-[1-(phosphonomethyl)-5-(trifluoromethyl)-2-benzimidazolyl]propanoic acid IUPAC Name: 2-amino-3-[1-(phosphonomethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propanoic acid Traditional Name: 2-amino-3-[1-(phosphonomethyl)-5-(trifluoromethyl)benzimidazol-2-yl]propionic acid Formula: C12H13F3N3O5P MolecularWeight: 367.217691

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N=C(N2CP(=O)(O)O)CC(C(=O)O)N

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N=C(N2CP(=O)(O)O)CC(C(=O)O)N

InChI

InChI=1S/C12H13F3N3O5P/c13-12(14,15)6-1-2-9-8(3-6)17-10(4-7(16)11(19)20)18(9)5-24(21,22)23/h1-3,7H,4-5,16H2,(H,19,20)(H2,21,22,23)