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

Systemtic Name: 2-[2-(butanoylamino)ethyl]-1-butan-2-yl-benzimidazole-5-carboxylic acid Openeye Name: 2-[2-(butanoylamino)ethyl]-1-sec-butyl-benzimidazole-5-carboxylic acid CAS Name: 1-butan-2-yl-2-[2-(1-oxobutylamino)ethyl]-5-benzimidazolecarboxylic acid IUPAC Name: 2-[2-(butanoylamino)ethyl]-1-butan-2-ylbenzimidazole-5-carboxylic acid Traditional Name: 2-(2-butyramidoethyl)-1-sec-butyl-benzimidazole-5-carboxylic acid Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCCC1=NC2=C(N1C(C)CC)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NCCC1=NC2=C(N1C(C)CC)C=CC(=C2)C(=O)O

InChI

InChI=1S/C18H25N3O3/c1-4-6-17(22)19-10-9-16-20-14-11-13(18(23)24)7-8-15(14)21(16)12(3)5-2/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,19,22)(H,23,24)