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

Systemtic Name: 3-[(2-chloranyl-4-propoxy-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-propoxy-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-propoxyphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-propoxyphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(2-chloro-4-propoxy-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C18H18ClN3O3/c1-3-8-25-13-5-4-12(14(19)9-13)10-22-11(2)20-15-6-7-16(18(23)24)21-17(15)22/h4-7,9H,3,8,10H2,1-2H3,(H,23,24)