2-(1,3-benzodioxol-5-yl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-pentyl-imidazol-4-yl]propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-pentyl-imidazol-4-yl]propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tert-butoxycarbonyl-2-pentyl-imidazol-4-yl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pentyl-4-imidazolyl]propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-pentylimidazol-4-yl]propanoic acid Traditional Name: 3-(2-amyl-1-tert-butoxycarbonyl-imidazol-4-yl)-2-(1,3-benzodioxol-5-yl)propionic acid Formula: C23H30N2O6 MolecularWeight: 430.4941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C23H30N2O6/c1-5-6-7-8-20-24-16(13-25(20)22(28)31-23(2,3)4)12-17(21(26)27)15-9-10-18-19(11-15)30-14-29-18/h9-11,13,17H,5-8,12,14H2,1-4H3,(H,26,27)