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

Systemtic Name: 2-butyl-3-[[4-carboxy-2,3-bis(chloranyl)phenyl]methyl]-5-chloranyl-benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(4-carboxy-2,3-dichloro-phenyl)methyl]-5-chloro-benzimidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(4-carboxy-2,3-dichlorophenyl)methyl]-5-chloro-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(4-carboxy-2,3-dichlorophenyl)methyl]-5-chlorobenzimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-(4-carboxy-2,3-dichloro-benzyl)-5-chloro-benzimidazole-4-carboxylic acid Formula: C20H17Cl3N2O4 MolecularWeight: 455.71898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl3N2O4/c1-2-3-4-14-24-13-8-7-12(21)15(20(28)29)18(13)25(14)9-10-5-6-11(19(26)27)17(23)16(10)22/h5-8H,2-4,9H2,1H3,(H,26,27)(H,28,29)