4-(2-propan-2-ylimidazol-1-yl)benzoate

Systemtic Name: 4-(2-propan-2-ylimidazol-1-yl)benzoate Openeye Name: 4-(2-isopropylimidazol-1-yl)benzoate CAS Name: 4-(2-propan-2-yl-1-imidazolyl)benzoate IUPAC Name: 4-(2-propan-2-ylimidazol-1-yl)benzoate Traditional Name: 4-(2-isopropylimidazol-1-yl)benzoate Formula: C13H13N2O2- MolecularWeight: 229.25452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=NC=CN1C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H14N2O2/c1-9(2)12-14-7-8-15(12)11-5-3-10(4-6-11)13(16)17/h3-9H,1-2H3,(H,16,17)/p-1