[1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: [1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: [2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid (2-keto-1-methyl-2-p-phenetyl-ethyl) ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H21NO7/c1-3-26-16-7-4-14(5-8-16)20(24)13(2)29-19(23)11-22-21(25)15-6-9-17-18(10-15)28-12-27-17/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)