[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenoxy)propanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenoxy)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(4-methylphenoxy)propanoate CAS Name: 2-(4-methylphenoxy)propanoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate Traditional Name: 2-(4-methylphenoxy)propionic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-13-4-7-17(8-5-13)27-15(3)21(24)28-14(2)20(23)22-11-16-6-9-18-19(10-16)26-12-25-18/h4-10,14-15H,11-12H2,1-3H3,(H,22,23)