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

Systemtic Name: 3-[(2-chloranyl-4-propan-2-yloxycarbonyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-isopropoxycarbonyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[[2-chloro-4-[oxo(propan-2-yloxy)methyl]phenyl]methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-propan-2-yloxycarbonylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(2-chloro-4-isopropoxycarbonyl-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O4/c1-10(2)27-19(26)12-4-5-13(14(20)8-12)9-23-11(3)21-15-6-7-16(18(24)25)22-17(15)23/h4-8,10H,9H2,1-3H3,(H,24,25)