2-[2-(4-chlorophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid

Systemtic Name: 2-[2-(4-chlorophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid Openeye Name: 2-[2-(4-chlorophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid CAS Name: 2-[2-(4-chlorophenyl)ethynyl]-3,5-dimethyl-4-imidazolecarboxylic acid IUPAC Name: 2-[2-(4-chlorophenyl)ethynyl]-3,5-dimethylimidazole-4-carboxylic acid Traditional Name: 2-[2-(4-chlorophenyl)ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid Formula: C14H11ClN2O2 MolecularWeight: 274.70234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)C#CC2=CC=C(C=C2)Cl)C)C(=O)O

Isomeric SMILES

CC1=C(N(C(=N1)C#CC2=CC=C(C=C2)Cl)C)C(=O)O

InChI

InChI=1S/C14H11ClN2O2/c1-9-13(14(18)19)17(2)12(16-9)8-5-10-3-6-11(15)7-4-10/h3-4,6-7H,1-2H3,(H,18,19)