[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-isobutoxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-(2-methylpropoxy)benzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxy-3-methoxy-benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C23H27NO7/c1-14(2)12-28-18-8-6-17(10-20(18)27-4)23(26)31-15(3)22(25)24-11-16-5-7-19-21(9-16)30-13-29-19/h5-10,14-15H,11-13H2,1-4H3,(H,24,25)