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

Systemtic Name: methyl 1-[(2-chloranyl-4-pentyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 1-[(2-chloro-4-pentyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 1-[(2-chloro-4-pentylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-4-pentylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 1-(4-amyl-2-chloro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=CC(=N3)C(=O)OC)C)Cl

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=CC(=N3)C(=O)OC)C)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-4-5-6-7-15-8-9-16(17(22)12-15)13-25-14(2)23-20-19(25)11-10-18(24-20)21(26)27-3/h8-12H,4-7,13H2,1-3H3