2-[4-(1,3-benzodioxol-5-ylmethoxycarbonylamino)-3-methoxy-phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethoxycarbonylamino)-3-methoxy-phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethoxycarbonylamino)-3-methoxy-phenyl]-2-isopropoxy-propanoic acid CAS Name: 2-[4-[[1,3-benzodioxol-5-ylmethoxy(oxo)methyl]amino]-3-methoxyphenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethoxycarbonylamino)-3-methoxyphenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-2-[3-methoxy-4-(piperonyloxycarbonylamino)phenyl]propionic acid Formula: C22H25NO8 MolecularWeight: 431.4358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(C)(C1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(C=C2)OCO3)OC)C(=O)O

Isomeric SMILES

CC(C)OC(C)(C1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(C=C2)OCO3)OC)C(=O)O

InChI

InChI=1S/C22H25NO8/c1-13(2)31-22(3,20(24)25)15-6-7-16(18(10-15)27-4)23-21(26)28-11-14-5-8-17-19(9-14)30-12-29-17/h5-10,13H,11-12H2,1-4H3,(H,23,26)(H,24,25)