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

Systemtic Name: ethyl 3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(4-amoxy-2-chloro-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H27ClN2O3 MolecularWeight: 414.92508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

InChI

InChI=1S/C23H27ClN2O3/c1-4-6-7-12-29-19-10-8-18(20(24)14-19)15-26-16(3)25-21-11-9-17(13-22(21)26)23(27)28-5-2/h8-11,13-14H,4-7,12,15H2,1-3H3