2-[(butanoylamino)methyl]-1-(2-methylpropyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(butanoylamino)methyl]-1-(2-methylpropyl)benzimidazole-5-carboxylic acid Openeye Name: 2-[(butanoylamino)methyl]-1-isobutyl-benzimidazole-5-carboxylic acid CAS Name: 1-(2-methylpropyl)-2-[(1-oxobutylamino)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(butanoylamino)methyl]-1-(2-methylpropyl)benzimidazole-5-carboxylic acid Traditional Name: 2-(butyramidomethyl)-1-isobutyl-benzimidazole-5-carboxylic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=NC2=C(N1CC(C)C)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NCC1=NC2=C(N1CC(C)C)C=CC(=C2)C(=O)O

InChI

InChI=1S/C17H23N3O3/c1-4-5-16(21)18-9-15-19-13-8-12(17(22)23)6-7-14(13)20(15)10-11(2)3/h6-8,11H,4-5,9-10H2,1-3H3,(H,18,21)(H,22,23)