[5-[4-azanyl-5-fluoranyl-1-(2-methylpropyl)-7-phenyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4-azanyl-5-fluoranyl-1-(2-methylpropyl)-7-phenyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-5-fluoro-1-isobutyl-7-phenyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-5-fluoro-1-(2-methylpropyl)-7-phenyl-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-5-fluoro-1-(2-methylpropyl)-7-phenylbenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-5-fluoro-1-isobutyl-7-phenyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C21H21FN3O4P MolecularWeight: 429.381304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(C=C2C3=CC=CC=C3)F)N)N=C1C4=CC=C(O4)P(=O)(O)O

Isomeric SMILES

CC(C)CN1C2=C(C(=C(C=C2C3=CC=CC=C3)F)N)N=C1C4=CC=C(O4)P(=O)(O)O

InChI

InChI=1S/C21H21FN3O4P/c1-12(2)11-25-20-14(13-6-4-3-5-7-13)10-15(22)18(23)19(20)24-21(25)16-8-9-17(29-16)30(26,27)28/h3-10,12H,11,23H2,1-2H3,(H2,26,27,28)