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

Systemtic Name: [2-[4-azanyl-1-[(3-methoxycarbonylphenyl)methyl]benzimidazol-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[4-amino-1-[(3-methoxycarbonylphenyl)methyl]benzimidazol-2-yl]-3-furyl]phosphonic acid CAS Name: [2-[4-amino-1-[(3-methoxycarbonylphenyl)methyl]-2-benzimidazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[4-amino-1-[(3-methoxycarbonylphenyl)methyl]benzimidazol-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[4-amino-1-(3-carbomethoxybenzyl)benzimidazol-2-yl]-3-furyl]phosphonic acid Formula: C20H18N3O6P MolecularWeight: 427.347181

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N3O6P/c1-28-20(24)13-5-2-4-12(10-13)11-23-15-7-3-6-14(21)17(15)22-19(23)18-16(8-9-29-18)30(25,26)27/h2-10H,11,21H2,1H3,(H2,25,26,27)