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

Systemtic Name: 3-[(2-chloranyl-4-hexoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-hexoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(2-chloro-4-hexoxyphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(2-chloro-4-hexoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(2-chloro-4-hexoxy-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-3-4-5-6-11-28-18-9-7-17(19(23)13-18)14-25-15(2)24-20-10-8-16(22(26)27)12-21(20)25/h7-10,12-13H,3-6,11,14H2,1-2H3,(H,26,27)