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

Systemtic Name: methyl 1-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 1-[(4-butoxy-2-chloro-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 1-[(4-butoxy-2-chlorophenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-butoxy-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 1-(4-butoxy-2-chloro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=CC(=N3)C(=O)OC)C)Cl

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=CC(=N3)C(=O)OC)C)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-4-5-10-27-15-7-6-14(16(21)11-15)12-24-13(2)22-19-18(24)9-8-17(23-19)20(25)26-3/h6-9,11H,4-5,10,12H2,1-3H3