[5-[7-azanyl-4-ethyl-6-fluoranyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[7-azanyl-4-ethyl-6-fluoranyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(7-amino-4-ethyl-6-fluoro-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[7-amino-4-ethyl-6-fluoro-1-(2-methylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[7-amino-4-ethyl-6-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(7-amino-4-ethyl-6-fluoro-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C17H21FN3O4P MolecularWeight: 381.338504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C2=C1N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O)N)F

Isomeric SMILES

CCC1=CC(=C(C2=C1N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O)N)F

InChI

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