methyl 3-[(4-chloranyl-2-hex-1-ynyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate

Systemtic Name: methyl 3-[(4-chloranyl-2-hex-1-ynyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 3-[(4-chloro-2-hex-1-ynyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 3-[(4-chloro-2-hex-1-ynylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-chloro-2-hex-1-ynylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 3-(4-chloro-2-hex-1-ynyl-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C22H22ClN3O2 MolecularWeight: 395.88198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=CC(=C1)Cl)CN2C(=NC3=C2N=C(C=C3)C(=O)OC)C

Isomeric SMILES

CCCCC#CC1=C(C=CC(=C1)Cl)CN2C(=NC3=C2N=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H22ClN3O2/c1-4-5-6-7-8-16-13-18(23)10-9-17(16)14-26-15(2)24-19-11-12-20(22(27)28-3)25-21(19)26/h9-13H,4-6,14H2,1-3H3