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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H23NO7/c1-12-17(25-3)8-15(9-18(12)26-4)21(24)29-13(2)20(23)22-10-14-5-6-16-19(7-14)28-11-27-16/h5-9,13H,10-11H2,1-4H3,(H,22,23)