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

Systemtic Name: 3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-ethyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-ethylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(4-amoxy-2-chloro-benzyl)-2-ethyl-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=C3)C(=O)O)CC)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)CC)Cl

InChI

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