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

Systemtic Name: [2-[4-azanyl-1-(3-cyclohexylpropyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[4-amino-1-(3-cyclohexylpropyl)benzimidazol-2-yl]-3-furyl]phosphonic acid CAS Name: [2-[4-amino-1-(3-cyclohexylpropyl)-2-benzimidazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[4-amino-1-(3-cyclohexylpropyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[4-amino-1-(3-cyclohexylpropyl)benzimidazol-2-yl]-3-furyl]phosphonic acid Formula: C20H26N3O4P MolecularWeight: 403.411901

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCN2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)CCCN2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O

InChI

InChI=1S/C20H26N3O4P/c21-15-9-4-10-16-18(15)22-20(19-17(11-13-27-19)28(24,25)26)23(16)12-5-8-14-6-2-1-3-7-14/h4,9-11,13-14H,1-3,5-8,12,21H2,(H2,24,25,26)