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

Systemtic Name: [2-[4-azanyl-1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[4-amino-1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]-3-furyl]phosphonic acid CAS Name: [2-[4-amino-1-[(4-tert-butylphenyl)methyl]-2-benzimidazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[4-amino-1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[4-amino-1-(4-tert-butylbenzyl)benzimidazol-2-yl]-3-furyl]phosphonic acid Formula: C22H24N3O4P MolecularWeight: 425.417421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N3O4P/c1-22(2,3)15-9-7-14(8-10-15)13-25-17-6-4-5-16(23)19(17)24-21(25)20-18(11-12-29-20)30(26,27)28/h4-12H,13,23H2,1-3H3,(H2,26,27,28)