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

Systemtic Name: 3-[(2-chloranyl-4-octoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-octoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-chloro-4-octoxy-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C24H29ClN2O3 MolecularWeight: 428.95166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C24H29ClN2O3/c1-3-4-5-6-7-8-13-30-20-11-9-19(21(25)15-20)16-27-17(2)26-22-12-10-18(24(28)29)14-23(22)27/h9-12,14-15H,3-8,13,16H2,1-2H3,(H,28,29)