3-[(4-carboxy-2-chloranyl-phenyl)methyl]-6-chloranyl-2-hexyl-benzimidazole-4-carboxylic acid

Systemtic Name: 3-[(4-carboxy-2-chloranyl-phenyl)methyl]-6-chloranyl-2-hexyl-benzimidazole-4-carboxylic acid Openeye Name: 3-[(4-carboxy-2-chloro-phenyl)methyl]-6-chloro-2-hexyl-benzimidazole-4-carboxylic acid CAS Name: 3-[(4-carboxy-2-chlorophenyl)methyl]-6-chloro-2-hexyl-4-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-carboxy-2-chlorophenyl)methyl]-6-chloro-2-hexylbenzimidazole-4-carboxylic acid Traditional Name: 3-(4-carboxy-2-chloro-benzyl)-6-chloro-2-hexyl-benzimidazole-4-carboxylic acid Formula: C22H22Cl2N2O4 MolecularWeight: 449.32708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1CC3=C(C=C(C=C3)C(=O)O)Cl)C(=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCCCC1=NC2=C(N1CC3=C(C=C(C=C3)C(=O)O)Cl)C(=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C22H22Cl2N2O4/c1-2-3-4-5-6-19-25-18-11-15(23)10-16(22(29)30)20(18)26(19)12-14-8-7-13(21(27)28)9-17(14)24/h7-11H,2-6,12H2,1H3,(H,27,28)(H,29,30)