3-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(4-butoxy-2-chloro-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(4-butoxy-2-chlorophenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(4-butoxy-2-chlorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(4-butoxy-2-chloro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C19H20ClN3O3/c1-3-4-9-26-14-6-5-13(15(20)10-14)11-23-12(2)21-16-7-8-17(19(24)25)22-18(16)23/h5-8,10H,3-4,9,11H2,1-2H3,(H,24,25)