3-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[2-keto-2-(piperonylamino)ethoxy]phenyl]-2-methoxy-propionic acid Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

COC(CC1=CC=C(C=C1)OCC(=O)NCC2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C20H21NO7/c1-25-18(20(23)24)8-13-2-5-15(6-3-13)26-11-19(22)21-10-14-4-7-16-17(9-14)28-12-27-16/h2-7,9,18H,8,10-12H2,1H3,(H,21,22)(H,23,24)