3-[[4-(butanoylamino)-2-chloranyl-phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[[4-(butanoylamino)-2-chloranyl-phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[[4-(butanoylamino)-2-chloro-phenyl]methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(1-oxobutylamino)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[[4-(butanoylamino)-2-chlorophenyl]methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(4-butyramido-2-chloro-benzyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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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)O)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3/c1-3-4-19(25)23-15-7-5-14(16(21)10-15)11-24-12(2)22-17-8-6-13(20(26)27)9-18(17)24/h5-10H,3-4,11H2,1-2H3,(H,23,25)(H,26,27)