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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-3-[2-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]-3-oxidanyl-propanoic acid Openeye Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tert-butoxycarbonyl-2-butyl-imidazol-4-yl)-3-hydroxy-propanoic acid CAS Name: 2-(1,3-benzodioxol-5-yl)-3-[2-butyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-imidazolyl]-3-hydroxypropanoic acid IUPAC Name: 2-(1,3-benzodioxol-5-yl)-3-[2-butyl-1-[(2-methylpropan-2-yl)oxycarbonyl]imidazol-4-yl]-3-hydroxypropanoic acid Traditional Name: 2-(1,3-benzodioxol-5-yl)-3-(1-tert-butoxycarbonyl-2-butyl-imidazol-4-yl)-3-hydroxy-propionic acid Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7/c1-5-6-7-17-23-14(11-24(17)21(28)31-22(2,3)4)19(25)18(20(26)27)13-8-9-15-16(10-13)30-12-29-15/h8-11,18-19,25H,5-7,12H2,1-4H3,(H,26,27)