3-[(2-chloranyl-4-hex-1-ynyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-hex-1-ynyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-hex-1-ynyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[(2-chloro-4-hex-1-ynylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-hex-1-ynylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-(2-chloro-4-hex-1-ynyl-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C21H20ClN3O2 MolecularWeight: 381.8554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCCCC#CC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C21H20ClN3O2/c1-3-4-5-6-7-15-8-9-16(17(22)12-15)13-25-14(2)23-18-10-11-19(21(26)27)24-20(18)25/h8-12H,3-5,13H2,1-2H3,(H,26,27)