[5-[4-azanyl-5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4-azanyl-5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-5-ethyl-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-5-ethyl-1-(2-methylpropyl)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-5-ethyl-1-isobutyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C17H22N3O4P MolecularWeight: 363.348041

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=C1)N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)N

Isomeric SMILES

CCC1=C(C2=C(C=C1)N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)N

InChI

InChI=1S/C17H22N3O4P/c1-4-11-5-6-12-16(15(11)18)19-17(20(12)9-10(2)3)13-7-8-14(24-13)25(21,22)23/h5-8,10H,4,9,18H2,1-3H3,(H2,21,22,23)