ethyl 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylate

Systemtic Name: ethyl 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylate Openeye Name: ethyl 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylate CAS Name: 2-[2-[3-(2,5-dimethyl-1-pyrrolyl)phenyl]ethynyl]-3,5-dimethyl-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethylimidazole-4-carboxylate Traditional Name: 2-[2-[3-(2,5-dimethylpyrrol-1-yl)phenyl]ethynyl]-3,5-dimethyl-imidazole-4-carboxylic acid ethyl ester Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1C)C#CC2=CC(=CC=C2)N3C(=CC=C3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1C)C#CC2=CC(=CC=C2)N3C(=CC=C3C)C)C

InChI

InChI=1S/C22H23N3O2/c1-6-27-22(26)21-17(4)23-20(24(21)5)13-12-18-8-7-9-19(14-18)25-15(2)10-11-16(25)3/h7-11,14H,6H2,1-5H3