disodium [6-(4-fluorophenyl)carbonyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate

Systemtic Name: disodium [6-(4-fluorophenyl)carbonyl-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Openeye Name: disodium [6-(4-fluorobenzoyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate CAS Name: disodium [6-[(4-fluorophenyl)-oxomethyl]-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate IUPAC Name: disodium [6-(4-fluorobenzoyl)-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Traditional Name: disodium [2-(carbomethoxyamino)-6-(4-fluorobenzoyl)benzimidazol-1-yl]methyl phosphate Formula: C17H13FN3Na2O7P MolecularWeight: 467.252724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=C(C=C2)C(=O)C3=CC=C(C=C3)F.[Na+].[Na+]

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=C(C=C2)C(=O)C3=CC=C(C=C3)F.[Na+].[Na+]

InChI

InChI=1S/C17H15FN3O7P.2Na/c1-27-17(23)20-16-19-13-7-4-11(15(22)10-2-5-12(18)6-3-10)8-14(13)21(16)9-28-29(24,25)26;;/h2-8H,9H2,1H3,(H,19,20,23)(H2,24,25,26);;/q;2*+1/p-2