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

Systemtic Name: 2-butyl-3-[(4-carboxy-3-chloranyl-phenyl)methyl]-6-chloranyl-benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(4-carboxy-3-chloro-phenyl)methyl]-6-chloro-benzimidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(4-carboxy-3-chlorophenyl)methyl]-6-chloro-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(4-carboxy-3-chlorophenyl)methyl]-6-chlorobenzimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-(4-carboxy-3-chloro-benzyl)-6-chloro-benzimidazole-4-carboxylic acid Formula: C20H18Cl2N2O4 MolecularWeight: 421.27392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C(=O)O)Cl)C(=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC(=C(C=C3)C(=O)O)Cl)C(=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C20H18Cl2N2O4/c1-2-3-4-17-23-16-9-12(21)8-14(20(27)28)18(16)24(17)10-11-5-6-13(19(25)26)15(22)7-11/h5-9H,2-4,10H2,1H3,(H,25,26)(H,27,28)