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

Systemtic Name: ethyl 3-[(2-chloranyl-4-heptyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-4-heptyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[(2-chloro-4-heptylphenyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-4-heptylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(2-chloro-4-heptyl-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C25H31ClN2O2 MolecularWeight: 426.97884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

InChI

InChI=1S/C25H31ClN2O2/c1-4-6-7-8-9-10-19-11-12-21(22(26)15-19)17-28-18(3)27-23-14-13-20(16-24(23)28)25(29)30-5-2/h11-16H,4-10,17H2,1-3H3