[2-[4-azanyl-1-(1-methoxy-2-phenyl-ethyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid

Systemtic Name: [2-[4-azanyl-1-(1-methoxy-2-phenyl-ethyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[4-amino-1-(1-methoxy-2-phenyl-ethyl)benzimidazol-2-yl]-3-furyl]phosphonic acid CAS Name: [2-[4-amino-1-(1-methoxy-2-phenylethyl)-2-benzimidazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[4-amino-1-(1-methoxy-2-phenylethyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[4-amino-1-(1-methoxy-2-phenyl-ethyl)benzimidazol-2-yl]-3-furyl]phosphonic acid Formula: C20H20N3O5P MolecularWeight: 413.363661

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=CC=C1)N2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O

Isomeric SMILES

COC(CC1=CC=CC=C1)N2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O

InChI

InChI=1S/C20H20N3O5P/c1-27-17(12-13-6-3-2-4-7-13)23-15-9-5-8-14(21)18(15)22-20(23)19-16(10-11-28-19)29(24,25)26/h2-11,17H,12,21H2,1H3,(H2,24,25,26)