3-[[2-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[[2-chloranyl-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-isopentyloxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(3-methylbutoxy)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[2-chloro-4-(3-methylbutoxy)phenyl]methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-chloro-4-isoamoxy-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)OCCC(C)C)Cl)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)OCCC(C)C)Cl)C=C(C=C2)C(=O)O

InChI

InChI=1S/C21H23ClN2O3/c1-13(2)8-9-27-17-6-4-16(18(22)11-17)12-24-14(3)23-19-7-5-15(21(25)26)10-20(19)24/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,26)