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

Systemtic Name: [2-[4-azanyl-1-(4-cyclohexylbutyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[4-amino-1-(4-cyclohexylbutyl)benzimidazol-2-yl]-3-furyl]phosphonic acid CAS Name: [2-[4-amino-1-(4-cyclohexylbutyl)-2-benzimidazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[4-amino-1-(4-cyclohexylbutyl)benzimidazol-2-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[4-amino-1-(4-cyclohexylbutyl)benzimidazol-2-yl]-3-furyl]phosphonic acid Formula: C21H28N3O4P MolecularWeight: 417.438481

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCN2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O

Isomeric SMILES

C1CCC(CC1)CCCCN2C3=C(C(=CC=C3)N)N=C2C4=C(C=CO4)P(=O)(O)O

InChI

InChI=1S/C21H28N3O4P/c22-16-10-6-11-17-19(16)23-21(20-18(12-14-28-20)29(25,26)27)24(17)13-5-4-9-15-7-2-1-3-8-15/h6,10-12,14-15H,1-5,7-9,13,22H2,(H2,25,26,27)