3-(2-methylpropoxycarbonyl)benzimidazole-4-carboxylic acid

Systemtic Name: 3-(2-methylpropoxycarbonyl)benzimidazole-4-carboxylic acid Openeye Name: 3-isobutoxycarbonylbenzimidazole-4-carboxylic acid CAS Name: 3-[2-methylpropoxy(oxo)methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 3-(2-methylpropoxycarbonyl)benzimidazole-4-carboxylic acid Traditional Name: 3-isobutoxycarbonylbenzimidazole-4-carboxylic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1C=NC2=CC=CC(=C21)C(=O)O

Isomeric SMILES

CC(C)COC(=O)N1C=NC2=CC=CC(=C21)C(=O)O

InChI

InChI=1S/C13H14N2O4/c1-8(2)6-19-13(18)15-7-14-10-5-3-4-9(11(10)15)12(16)17/h3-5,7-8H,6H2,1-2H3,(H,16,17)