methyl 2-[6-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]pyridin-2-yl]-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[6-[[5-chloranyl-2-(2-methylpropoxy)phenyl]methyl]pyridin-2-yl]-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[6-[(5-chloro-2-isobutoxy-phenyl)methyl]-2-pyridyl]-3H-benzimidazole-5-carboxylate CAS Name: 2-[6-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]-2-pyridinyl]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[6-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]pyridin-2-yl]-3H-benzimidazole-5-carboxylate Traditional Name: 2-[6-(5-chloro-2-isobutoxy-benzyl)-2-pyridyl]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C25H24ClN3O3 MolecularWeight: 449.92936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Cl)CC2=CC=CC(=N2)C3=NC4=C(N3)C=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Cl)CC2=CC=CC(=N2)C3=NC4=C(N3)C=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H24ClN3O3/c1-15(2)14-32-23-10-8-18(26)11-17(23)12-19-5-4-6-21(27-19)24-28-20-9-7-16(25(30)31-3)13-22(20)29-24/h4-11,13,15H,12,14H2,1-3H3,(H,28,29)