[2-[1-(2,2-dimethylpropyl)-4-fluoranyl-benzimidazol-2-yl]-3H-furan-2-yl]phosphonic acid

Systemtic Name: [2-[1-(2,2-dimethylpropyl)-4-fluoranyl-benzimidazol-2-yl]-3H-furan-2-yl]phosphonic acid Openeye Name: [2-[1-(2,2-dimethylpropyl)-4-fluoro-benzimidazol-2-yl]-3H-furan-2-yl]phosphonic acid CAS Name: [2-[1-(2,2-dimethylpropyl)-4-fluoro-2-benzimidazolyl]-3H-furan-2-yl]phosphonic acid IUPAC Name: [2-[1-(2,2-dimethylpropyl)-4-fluorobenzimidazol-2-yl]-3H-furan-2-yl]phosphonic acid Traditional Name: [2-(4-fluoro-1-neopentyl-benzimidazol-2-yl)-3H-furan-2-yl]phosphonic acid Formula: C16H20FN2O4P MolecularWeight: 354.313164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C(=CC=C2)F)N=C1C3(CC=CO3)P(=O)(O)O

Isomeric SMILES

CC(C)(C)CN1C2=C(C(=CC=C2)F)N=C1C3(CC=CO3)P(=O)(O)O

InChI

InChI=1S/C16H20FN2O4P/c1-15(2,3)10-19-12-7-4-6-11(17)13(12)18-14(19)16(24(20,21)22)8-5-9-23-16/h4-7,9H,8,10H2,1-3H3,(H2,20,21,22)