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

Systemtic Name: 2-[(butanoylamino)methyl]-1-butan-2-yl-benzimidazole-5-carboxylic acid Openeye Name: 2-[(butanoylamino)methyl]-1-sec-butyl-benzimidazole-5-carboxylic acid CAS Name: 1-butan-2-yl-2-[(1-oxobutylamino)methyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[(butanoylamino)methyl]-1-butan-2-ylbenzimidazole-5-carboxylic acid Traditional Name: 2-(butyramidomethyl)-1-sec-butyl-benzimidazole-5-carboxylic acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCC1=NC2=C(N1C(C)CC)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NCC1=NC2=C(N1C(C)CC)C=CC(=C2)C(=O)O

InChI

InChI=1S/C17H23N3O3/c1-4-6-16(21)18-10-15-19-13-9-12(17(22)23)7-8-14(13)20(15)11(3)5-2/h7-9,11H,4-6,10H2,1-3H3,(H,18,21)(H,22,23)