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

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethoxycarbonylamino)phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethoxycarbonylamino)phenyl]-2-isopropoxy-propanoic acid CAS Name: 2-[3-[[1,3-benzodioxol-5-ylmethoxy(oxo)methyl]amino]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethoxycarbonylamino)phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-2-[3-(piperonyloxycarbonylamino)phenyl]propionic acid Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7/c1-13(2)29-21(3,19(23)24)15-5-4-6-16(10-15)22-20(25)26-11-14-7-8-17-18(9-14)28-12-27-17/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24)