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

Systemtic Name: 3-[[4-azanyl-2-(3-phosphonofuran-2-yl)benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 3-[[4-amino-2-(3-phosphono-2-furyl)benzimidazol-1-yl]methyl]benzoic acid CAS Name: 3-[[4-amino-2-(3-phosphono-2-furanyl)-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 3-[[4-amino-2-(3-phosphonofuran-2-yl)benzimidazol-1-yl]methyl]benzoic acid Traditional Name: 3-[[4-amino-2-(3-phosphono-2-furyl)benzimidazol-1-yl]methyl]benzoic acid Formula: C19H16N3O6P MolecularWeight: 413.320601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C19H16N3O6P/c20-13-5-2-6-14-16(13)21-18(17-15(7-8-28-17)29(25,26)27)22(14)10-11-3-1-4-12(9-11)19(23)24/h1-9H,10,20H2,(H,23,24)(H2,25,26,27)