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

Systemtic Name: [5-[4-azanyl-1-(2-ethylbutyl)-5-fluoranyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[4-amino-1-(2-ethylbutyl)-5-fluoro-benzimidazol-2-yl]-2-furyl]phosphonic acid CAS Name: [5-[4-amino-1-(2-ethylbutyl)-5-fluoro-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-1-(2-ethylbutyl)-5-fluorobenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[4-amino-1-(2-ethylbutyl)-5-fluoro-benzimidazol-2-yl]-2-furyl]phosphonic acid Formula: C17H21FN3O4P MolecularWeight: 381.338504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CN1C2=C(C(=C(C=C2)F)N)N=C1C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CCC(CC)CN1C2=C(C(=C(C=C2)F)N)N=C1C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C17H21FN3O4P/c1-3-10(4-2)9-21-12-6-5-11(18)15(19)16(12)20-17(21)13-7-8-14(25-13)26(22,23)24/h5-8,10H,3-4,9,19H2,1-2H3,(H2,22,23,24)