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

Systemtic Name: 3-[(2-chloranyl-4-phenylmethoxy-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(4-benzyloxy-2-chloro-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(4-benzoxy-2-chloro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)OCC4=CC=CC=C4)Cl)N=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)OCC4=CC=CC=C4)Cl)N=C(C=C2)C(=O)O

InChI

InChI=1S/C22H18ClN3O3/c1-14-24-19-9-10-20(22(27)28)25-21(19)26(14)12-16-7-8-17(11-18(16)23)29-13-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,27,28)