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

Systemtic Name: methyl 3-[(2-chloranyl-3-pentyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 3-[(2-chloro-3-pentyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 3-[(2-chloro-3-pentylphenyl)methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-3-pentylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 3-(3-amyl-2-chloro-benzyl)-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=CC=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)OC)C)Cl

Isomeric SMILES

CCCCCC1=C(C(=CC=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)OC)C)Cl

InChI

InChI=1S/C21H24ClN3O2/c1-4-5-6-8-15-9-7-10-16(19(15)22)13-25-14(2)23-17-11-12-18(21(26)27-3)24-20(17)25/h7,9-12H,4-6,8,13H2,1-3H3