5-butanoyl-1-butyl-benzimidazole-2-carboxylic acid

Systemtic Name: 5-butanoyl-1-butyl-benzimidazole-2-carboxylic acid Openeye Name: 5-butanoyl-1-butyl-benzimidazole-2-carboxylic acid CAS Name: 1-butyl-5-(1-oxobutyl)-2-benzimidazolecarboxylic acid IUPAC Name: 5-butanoyl-1-butylbenzimidazole-2-carboxylic acid Traditional Name: 1-butyl-5-butyryl-benzimidazole-2-carboxylic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)CCC)N=C1C(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)CCC)N=C1C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-3-5-9-18-13-8-7-11(14(19)6-4-2)10-12(13)17-15(18)16(20)21/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)