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

Systemtic Name: ethyl 3-[[4-(butanoylamino)-2-chloranyl-phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[[4-(butanoylamino)-2-chloro-phenyl]methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[2-chloro-4-(1-oxobutylamino)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(butanoylamino)-2-chlorophenyl]methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-(4-butyramido-2-chloro-benzyl)-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)OCC)C)Cl

InChI

InChI=1S/C22H24ClN3O3/c1-4-6-21(27)25-17-9-7-16(18(23)12-17)13-26-14(3)24-19-10-8-15(11-20(19)26)22(28)29-5-2/h7-12H,4-6,13H2,1-3H3,(H,25,27)