methyl 2-[2-(3,4-dimethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylate CAS Name: 2-[2-(3,4-dimethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylate Traditional Name: 2-[2-(3,4-dimethoxyphenyl)ethynyl]-1H-benzimidazole-4-carboxylic acid methyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C#CC2=NC3=C(C=CC=C3N2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C#CC2=NC3=C(C=CC=C3N2)C(=O)OC)OC

InChI

InChI=1S/C19H16N2O4/c1-23-15-9-7-12(11-16(15)24-2)8-10-17-20-14-6-4-5-13(18(14)21-17)19(22)25-3/h4-7,9,11H,1-3H3,(H,20,21)