ethyl 3,5-dimethyl-2-[2-(3-methylphenyl)ethynyl]imidazole-4-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-2-[2-(3-methylphenyl)ethynyl]imidazole-4-carboxylate Openeye Name: ethyl 3,5-dimethyl-2-[2-(m-tolyl)ethynyl]imidazole-4-carboxylate CAS Name: 3,5-dimethyl-2-[2-(3-methylphenyl)ethynyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-2-[2-(3-methylphenyl)ethynyl]imidazole-4-carboxylate Traditional Name: 3,5-dimethyl-2-[2-(m-tolyl)ethynyl]imidazole-4-carboxylic acid ethyl ester Formula: C17H18N2O2 MolecularWeight: 282.33702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1C)C#CC2=CC(=CC=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1C)C#CC2=CC(=CC=C2)C)C

InChI

InChI=1S/C17H18N2O2/c1-5-21-17(20)16-13(3)18-15(19(16)4)10-9-14-8-6-7-12(2)11-14/h6-8,11H,5H2,1-4H3