2-[[2-[1H-benzimidazol-2-yl-bis(fluoranyl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid

Systemtic Name: 2-[[2-[1H-benzimidazol-2-yl-bis(fluoranyl)methyl]-3-methyl-benzimidazol-5-yl]carbonylamino]-3-phosphono-propanoic acid Openeye Name: 2-[[2-[1H-benzimidazol-2-yl(difluoro)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propanoic acid CAS Name: 2-[[[2-[1H-benzimidazol-2-yl(difluoro)methyl]-3-methyl-5-benzimidazolyl]-oxomethyl]amino]-3-phosphonopropanoic acid IUPAC Name: 2-[[2-[1H-benzimidazol-2-yl(difluoro)methyl]-3-methylbenzimidazole-5-carbonyl]amino]-3-phosphonopropanoic acid Traditional Name: 2-[[2-[1H-benzimidazol-2-yl(difluoro)methyl]-3-methyl-benzimidazole-5-carbonyl]amino]-3-phosphono-propionic acid Formula: C20H18F2N5O6P MolecularWeight: 493.357387

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1C(C3=NC4=CC=CC=C4N3)(F)F

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)NC(CP(=O)(O)O)C(=O)O)N=C1C(C3=NC4=CC=CC=C4N3)(F)F

InChI

InChI=1S/C20H18F2N5O6P/c1-27-15-8-10(16(28)23-14(17(29)30)9-34(31,32)33)6-7-13(15)26-19(27)20(21,22)18-24-11-4-2-3-5-12(11)25-18/h2-8,14H,9H2,1H3,(H,23,28)(H,24,25)(H,29,30)(H2,31,32,33)