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

Systemtic Name: ethyl 3-[[2-chloranyl-4-(pentylamino)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[[2-chloro-4-(pentylamino)phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[2-chloro-4-(pentylamino)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-chloro-4-(pentylamino)phenyl]methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[4-(amylamino)-2-chloro-benzyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C23H28ClN3O2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

Isomeric SMILES

CCCCCNC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

InChI

InChI=1S/C23H28ClN3O2/c1-4-6-7-12-25-19-10-8-18(20(24)14-19)15-27-16(3)26-21-11-9-17(13-22(21)27)23(28)29-5-2/h8-11,13-14,25H,4-7,12,15H2,1-3H3