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

Systemtic Name: ethyl 3-[(2-chloranyl-4-octoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-4-octoxy-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(2-chloro-4-octoxy-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C26H33ClN2O3 MolecularWeight: 457.00482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

InChI

InChI=1S/C26H33ClN2O3/c1-4-6-7-8-9-10-15-32-22-13-11-21(23(27)17-22)18-29-19(3)28-24-14-12-20(16-25(24)29)26(30)31-5-2/h11-14,16-17H,4-10,15,18H2,1-3H3