1-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]-2-(2,4-dimethylphenyl)benzimidazole

Systemtic Name: 1-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butyl]-2-(2,4-dimethylphenyl)benzimidazole Openeye Name: 1-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-2-(2,4-dimethylphenyl)benzimidazole CAS Name: 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(2,4-dimethylphenyl)benzimidazole IUPAC Name: 1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(2,4-dimethylphenyl)benzimidazole Traditional Name: 1-[4-(4-chloro-3,5-dimethyl-phenoxy)butyl]-2-(2,4-dimethylphenyl)benzimidazole Formula: C27H29ClN2O MolecularWeight: 432.98496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3N2CCCCOC4=CC(=C(C(=C4)C)Cl)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3N2CCCCOC4=CC(=C(C(=C4)C)Cl)C)C

InChI

InChI=1S/C27H29ClN2O/c1-18-11-12-23(19(2)15-18)27-29-24-9-5-6-10-25(24)30(27)13-7-8-14-31-22-16-20(3)26(28)21(4)17-22/h5-6,9-12,15-17H,7-8,13-14H2,1-4H3