6-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2,7-dimethyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 6-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2,7-dimethyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 6-[(2-chloro-4-pentoxy-phenyl)methyl]-2,7-dimethyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 6-[(2-chloro-4-pentoxyphenyl)methyl]-2,7-dimethyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid IUPAC Name: 6-[(2-chloro-4-pentoxyphenyl)methyl]-2,7-dimethyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 6-(4-amoxy-2-chloro-benzyl)-2,7-dimethyl-1H-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)CC2=C(C3=C(N=C(N3)C)N=C2C(=O)O)C)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CC2=C(C3=C(N=C(N3)C)N=C2C(=O)O)C)Cl

InChI

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