4-[4-azanyl-2-(3-phosphonofuran-2-yl)benzimidazol-1-yl]butanoic acid

Systemtic Name: 4-[4-azanyl-2-(3-phosphonofuran-2-yl)benzimidazol-1-yl]butanoic acid Openeye Name: 4-[4-amino-2-(3-phosphono-2-furyl)benzimidazol-1-yl]butanoic acid CAS Name: 4-[4-amino-2-(3-phosphono-2-furanyl)-1-benzimidazolyl]butanoic acid IUPAC Name: 4-[4-amino-2-(3-phosphonofuran-2-yl)benzimidazol-1-yl]butanoic acid Traditional Name: 4-[4-amino-2-(3-phosphono-2-furyl)benzimidazol-1-yl]butyric acid Formula: C15H16N3O6P MolecularWeight: 365.277801

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N)N=C(N2CCCC(=O)O)C3=C(C=CO3)P(=O)(O)O

Isomeric SMILES

C1=CC2=C(C(=C1)N)N=C(N2CCCC(=O)O)C3=C(C=CO3)P(=O)(O)O

InChI

InChI=1S/C15H16N3O6P/c16-9-3-1-4-10-13(9)17-15(18(10)7-2-5-12(19)20)14-11(6-8-24-14)25(21,22)23/h1,3-4,6,8H,2,5,7,16H2,(H,19,20)(H2,21,22,23)