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

Systemtic Name: 3-[(2-chloranyl-4-ethoxycarbonyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-ethoxycarbonyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-ethoxycarbonylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-ethoxycarbonylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(4-carbethoxy-2-chloro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C18H16ClN3O4 MolecularWeight: 373.79034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4/c1-3-26-18(25)11-4-5-12(13(19)8-11)9-22-10(2)20-14-6-7-15(17(23)24)21-16(14)22/h4-8H,3,9H2,1-2H3,(H,23,24)