3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-[2-chloro-4-(2-phenylethynyl)benzyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C24H17ClN2O2 MolecularWeight: 400.85698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C=C(C=C2)C(=O)O

InChI

InChI=1S/C24H17ClN2O2/c1-16-26-22-12-11-19(24(28)29)14-23(22)27(16)15-20-10-9-18(13-21(20)25)8-7-17-5-3-2-4-6-17/h2-6,9-14H,15H2,1H3,(H,28,29)