[2-(2-azanyl-3-oxidanylidene-3-phenylmethoxy-propyl)-5-bromanyl-benzimidazol-1-yl]methylphosphonic acid

Systemtic Name: [2-(2-azanyl-3-oxidanylidene-3-phenylmethoxy-propyl)-5-bromanyl-benzimidazol-1-yl]methylphosphonic acid Openeye Name: [2-(2-amino-3-benzyloxy-3-oxo-propyl)-5-bromo-benzimidazol-1-yl]methylphosphonic acid CAS Name: [2-(2-amino-3-oxo-3-phenylmethoxypropyl)-5-bromo-1-benzimidazolyl]methylphosphonic acid IUPAC Name: [2-(2-amino-3-oxo-3-phenylmethoxypropyl)-5-bromobenzimidazol-1-yl]methylphosphonic acid Traditional Name: [2-(2-amino-3-benzoxy-3-keto-propyl)-5-bromo-benzimidazol-1-yl]methylphosphonic acid Formula: C18H19BrN3O5P MolecularWeight: 468.238321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC2=NC3=C(N2CP(=O)(O)O)C=CC(=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC2=NC3=C(N2CP(=O)(O)O)C=CC(=C3)Br)N

InChI

InChI=1S/C18H19BrN3O5P/c19-13-6-7-16-15(8-13)21-17(22(16)11-28(24,25)26)9-14(20)18(23)27-10-12-4-2-1-3-5-12/h1-8,14H,9-11,20H2,(H2,24,25,26)