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

Systemtic Name: 3-[(4-butyl-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(4-butyl-2-chloro-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(4-butyl-2-chlorophenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-butyl-2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(4-butyl-2-chloro-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C20H21ClN2O2 MolecularWeight: 356.84594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C20H21ClN2O2/c1-3-4-5-14-6-7-16(17(21)10-14)12-23-13(2)22-18-9-8-15(20(24)25)11-19(18)23/h6-11H,3-5,12H2,1-2H3,(H,24,25)