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

Systemtic Name: 3-[(2-chloranyl-4-pentyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-pentyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-pentylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-pentylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(4-amyl-2-chloro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C20H22ClN3O2/c1-3-4-5-6-14-7-8-15(16(21)11-14)12-24-13(2)22-17-9-10-18(20(25)26)23-19(17)24/h7-11H,3-6,12H2,1-2H3,(H,25,26)