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

Systemtic Name: methyl 3-[(2-chloranyl-4-phenethyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 3-[(2-chloro-4-phenethyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 3-[(2-chloro-4-phenethylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-4-phenethylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 3-(2-chloro-4-phenethyl-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C24H22ClN3O2 MolecularWeight: 419.90338

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H22ClN3O2/c1-16-26-21-12-13-22(24(29)30-2)27-23(21)28(16)15-19-11-10-18(14-20(19)25)9-8-17-6-4-3-5-7-17/h3-7,10-14H,8-9,15H2,1-2H3