ethyl 1-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-4-carboxylate

Systemtic Name: ethyl 1-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-4-carboxylate Openeye Name: ethyl 1-[(4-butoxy-2-chloro-phenyl)methyl]-2-methyl-benzimidazole-4-carboxylate CAS Name: 1-[(4-butoxy-2-chlorophenyl)methyl]-2-methyl-4-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-butoxy-2-chlorophenyl)methyl]-2-methylbenzimidazole-4-carboxylate Traditional Name: 1-(4-butoxy-2-chloro-benzyl)-2-methyl-benzimidazole-4-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=C(C=CC=C32)C(=O)OCC)C)Cl

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)CN2C(=NC3=C(C=CC=C32)C(=O)OCC)C)Cl

InChI

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