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

Systemtic Name: [5-[4-azanyl-6-chloranyl-7-ethyl-5-fluoranyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-6-chloro-7-ethyl-5-fluoro-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-6-chloro-7-ethyl-5-fluoro-1-(2-methylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-6-chloro-7-ethyl-5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-6-chloro-7-ethyl-5-fluoro-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C17H20ClFN3O4P MolecularWeight: 415.783564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=C1Cl)F)N)N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CCC1=C2C(=C(C(=C1Cl)F)N)N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C17H20ClFN3O4P/c1-4-9-12(18)13(19)14(20)15-16(9)22(7-8(2)3)17(21-15)10-5-6-11(26-10)27(23,24)25/h5-6,8H,4,7,20H2,1-3H3,(H2,23,24,25)