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

Systemtic Name: 2-butyl-3-[[4-carboxy-3-(trifluoromethyl)phenyl]methyl]-6-chloranyl-benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[4-carboxy-3-(trifluoromethyl)phenyl]methyl]-6-chloro-benzimidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[4-carboxy-3-(trifluoromethyl)phenyl]methyl]-6-chloro-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-carboxy-3-(trifluoromethyl)phenyl]methyl]-6-chlorobenzimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[4-carboxy-3-(trifluoromethyl)benzyl]-6-chloro-benzimidazole-4-carboxylic acid Formula: C21H18ClF3N2O4 MolecularWeight: 454.82683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClF3N2O4/c1-2-3-4-17-26-16-9-12(22)8-14(20(30)31)18(16)27(17)10-11-5-6-13(19(28)29)15(7-11)21(23,24)25/h5-9H,2-4,10H2,1H3,(H,28,29)(H,30,31)