[2-[4-azanyl-1-(4-oxidanylbutyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid

Systemtic Name: [2-[4-azanyl-1-(4-oxidanylbutyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[4-amino-1-(4-hydroxybutyl)benzimidazol-2-yl]-3-furyl]phosphonic acid CAS Name: [2-[4-amino-1-(4-hydroxybutyl)-2-benzimidazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[4-amino-1-(4-hydroxybutyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[4-amino-1-(4-hydroxybutyl)benzimidazol-2-yl]-3-furyl]phosphonic acid Formula: C15H18N3O5P MolecularWeight: 351.294281

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)N=C(N2CCCCO)C3=C(C=CO3)P(=O)(O)O

Isomeric SMILES

C1=CC2=C(C(=C1)N)N=C(N2CCCCO)C3=C(C=CO3)P(=O)(O)O

InChI

InChI=1S/C15H18N3O5P/c16-10-4-3-5-11-13(10)17-15(18(11)7-1-2-8-19)14-12(6-9-23-14)24(20,21)22/h3-6,9,19H,1-2,7-8,16H2,(H2,20,21,22)