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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[2-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tert-butoxycarbonyl-2-butyl-imidazol-4-yl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[2-butyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-imidazolyl]propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[2-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]propanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tert-butoxycarbonyl-2-butyl-imidazol-4-yl)propionic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C22H28N2O6/c1-5-6-7-19-23-15(12-24(19)21(27)30-22(2,3)4)11-16(20(25)26)14-8-9-17-18(10-14)29-13-28-17/h8-10,12,16H,5-7,11,13H2,1-4H3,(H,25,26)