3-[2-(2,2-dimethylpropyl)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-(2,2-dimethylpropyl)benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-(2,2-dimethylpropyl)benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-(2,2-dimethylpropyl)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-(2,2-dimethylpropyl)benzimidazol-1-yl]propanoic acid Traditional Name: 3-(2-neopentylbenzimidazol-1-yl)propionic acid Formula: C15H20N2O2 MolecularWeight: 260.3315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NC2=CC=CC=C2N1CCC(=O)O

Isomeric SMILES

CC(C)(C)CC1=NC2=CC=CC=C2N1CCC(=O)O

InChI

InChI=1S/C15H20N2O2/c1-15(2,3)10-13-16-11-6-4-5-7-12(11)17(13)9-8-14(18)19/h4-7H,8-10H2,1-3H3,(H,18,19)