[2-(2-azanyl-3-ethoxy-3-oxidanylidene-propyl)benzimidazol-1-yl]methylphosphonic acid

Systemtic Name: [2-(2-azanyl-3-ethoxy-3-oxidanylidene-propyl)benzimidazol-1-yl]methylphosphonic acid Openeye Name: [2-(2-amino-3-ethoxy-3-oxo-propyl)benzimidazol-1-yl]methylphosphonic acid CAS Name: [2-(2-amino-3-ethoxy-3-oxopropyl)-1-benzimidazolyl]methylphosphonic acid IUPAC Name: [2-(2-amino-3-ethoxy-3-oxopropyl)benzimidazol-1-yl]methylphosphonic acid Traditional Name: [2-(2-amino-3-ethoxy-3-keto-propyl)benzimidazol-1-yl]methylphosphonic acid Formula: C13H18N3O5P MolecularWeight: 327.272881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=NC2=CC=CC=C2N1CP(=O)(O)O)N

Isomeric SMILES

CCOC(=O)C(CC1=NC2=CC=CC=C2N1CP(=O)(O)O)N

InChI

InChI=1S/C13H18N3O5P/c1-2-21-13(17)9(14)7-12-15-10-5-3-4-6-11(10)16(12)8-22(18,19)20/h3-6,9H,2,7-8,14H2,1H3,(H2,18,19,20)