3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-pentoxy-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-pentoxyphenyl)methyl]-2,7-dimethyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-pentoxyphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(4-amoxy-2-chloro-benzyl)-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3C)C(=O)O)C)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3C)C(=O)O)C)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-4-5-6-9-28-16-8-7-15(17(22)11-16)12-25-14(3)23-19-13(2)10-18(21(26)27)24-20(19)25/h7-8,10-11H,4-6,9,12H2,1-3H3,(H,26,27)