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

Systemtic Name: 3-[(2-chloranyl-4-phenethyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-phenethyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-phenethylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-phenethylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(2-chloro-4-phenethyl-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C23H20ClN3O2 MolecularWeight: 405.8768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)CCC4=CC=CC=C4)Cl)N=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)CCC4=CC=CC=C4)Cl)N=C(C=C2)C(=O)O

InChI

InChI=1S/C23H20ClN3O2/c1-15-25-20-11-12-21(23(28)29)26-22(20)27(15)14-18-10-9-17(13-19(18)24)8-7-16-5-3-2-4-6-16/h2-6,9-13H,7-8,14H2,1H3,(H,28,29)