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

Systemtic Name: [5-[4-azanyl-1-(2-methylpropyl)-5-propyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-1-isobutyl-5-propyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-1-(2-methylpropyl)-5-propyl-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-1-(2-methylpropyl)-5-propylbenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-(4-amino-1-isobutyl-5-propyl-benzimidazol-2-yl)-2-furyl]phosphonic acid Formula: C18H24N3O4P MolecularWeight: 377.374621

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C=C1)N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)N

Isomeric SMILES

CCCC1=C(C2=C(C=C1)N(C(=N2)C3=CC=C(O3)P(=O)(O)O)CC(C)C)N

InChI

InChI=1S/C18H24N3O4P/c1-4-5-12-6-7-13-17(16(12)19)20-18(21(13)10-11(2)3)14-8-9-15(25-14)26(22,23)24/h6-9,11H,4-5,10,19H2,1-3H3,(H2,22,23,24)