6-tert-butyl-2-[4-chloranyl-3-[(2-methoxyphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride

Systemtic Name: 6-tert-butyl-2-[4-chloranyl-3-[(2-methoxyphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride Openeye Name: 6-tert-butyl-2-[4-chloro-3-[(2-methoxyphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride CAS Name: 6-tert-butyl-2-[4-chloro-3-[(2-methoxyphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride IUPAC Name: 6-tert-butyl-2-[4-chloro-3-[(2-methoxyphenyl)methoxy]phenyl]-1H-benzimidazole hydrochloride Traditional Name: 6-tert-butyl-2-(4-chloro-3-o-anisyloxy-phenyl)-1H-benzimidazole hydrochloride Formula: C25H26Cl2N2O2 MolecularWeight: 457.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)OCC4=CC=CC=C4OC.Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)Cl)OCC4=CC=CC=C4OC.Cl

InChI

InChI=1S/C25H25ClN2O2.ClH/c1-25(2,3)18-10-12-20-21(14-18)28-24(27-20)16-9-11-19(26)23(13-16)30-15-17-7-5-6-8-22(17)29-4;/h5-14H,15H2,1-4H3,(H,27,28);1H