3-[2-(2-chloranyl-4-hexyl-phenyl)ethyl]benzimidazole-5-carboxylic acid

Systemtic Name: 3-[2-(2-chloranyl-4-hexyl-phenyl)ethyl]benzimidazole-5-carboxylic acid Openeye Name: 3-[2-(2-chloro-4-hexyl-phenyl)ethyl]benzimidazole-5-carboxylic acid CAS Name: 3-[2-(2-chloro-4-hexylphenyl)ethyl]-5-benzimidazolecarboxylic acid IUPAC Name: 3-[2-(2-chloro-4-hexylphenyl)ethyl]benzimidazole-5-carboxylic acid Traditional Name: 3-[2-(2-chloro-4-hexyl-phenyl)ethyl]benzimidazole-5-carboxylic acid Formula: C22H25ClN2O2 MolecularWeight: 384.8991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)CCN2C=NC3=C2C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)CCN2C=NC3=C2C=C(C=C3)C(=O)O)Cl

InChI

InChI=1S/C22H25ClN2O2/c1-2-3-4-5-6-16-7-8-17(19(23)13-16)11-12-25-15-24-20-10-9-18(22(26)27)14-21(20)25/h7-10,13-15H,2-6,11-12H2,1H3,(H,26,27)