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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-3-4-5-10-27-17-8-6-16(18(22)12-17)13-24-14(2)23-19-9-7-15(21(25)26)11-20(19)24/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,26)