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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propyl-imidazol-4-yl]propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tert-butoxycarbonyl-2-propyl-imidazol-4-yl)propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-propyl-4-imidazolyl]propanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-propylimidazol-4-yl]propanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tert-butoxycarbonyl-2-propyl-imidazol-4-yl)propionic acid Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CCCC1=NC(=CN1C(=O)OC(C)(C)C)CC(C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C21H26N2O6/c1-5-6-18-22-14(11-23(18)20(26)29-21(2,3)4)10-15(19(24)25)13-7-8-16-17(9-13)28-12-27-16/h7-9,11,15H,5-6,10,12H2,1-4H3,(H,24,25)