ethyl 3-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(4-butoxy-2-chloro-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(4-butoxy-2-chlorophenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-butoxy-2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(4-butoxy-2-chloro-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

InChI

InChI=1S/C22H25ClN2O3/c1-4-6-11-28-18-9-7-17(19(23)13-18)14-25-15(3)24-20-10-8-16(12-21(20)25)22(26)27-5-2/h7-10,12-13H,4-6,11,14H2,1-3H3