3-[2-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-oxidanylidene-2-(phosphonomethyl)propanoic acid

Systemtic Name: 3-[2-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-oxidanylidene-2-(phosphonomethyl)propanoic acid Openeye Name: 3-[2-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-oxo-2-(phosphonomethyl)propanoic acid CAS Name: 3-[2-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-5-benzimidazolyl]-3-oxo-2-(phosphonomethyl)propanoic acid IUPAC Name: 3-[2-[1-(1H-benzimidazol-2-yl)ethyl]-1-methylbenzimidazol-5-yl]-3-oxo-2-(phosphonomethyl)propanoic acid Traditional Name: 3-[2-[1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-3-keto-2-(phosphonomethyl)propionic acid Formula: C21H21N4O6P MolecularWeight: 456.388401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)C3=NC4=C(N3C)C=CC(=C4)C(=O)C(CP(=O)(O)O)C(=O)O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1)C3=NC4=C(N3C)C=CC(=C4)C(=O)C(CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C21H21N4O6P/c1-11(19-22-14-5-3-4-6-15(14)23-19)20-24-16-9-12(7-8-17(16)25(20)2)18(26)13(21(27)28)10-32(29,30)31/h3-9,11,13H,10H2,1-2H3,(H,22,23)(H,27,28)(H2,29,30,31)