methyl 3-[2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoyloxy]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(1,3-benzodioxole-5-carbonylamino)acetyl]oxyacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxoethoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(1,3-benzodioxole-5-carbonylamino)acetyl]oxyacetyl]amino]-4-methylbenzoate Traditional Name: 4-methyl-3-[[2-[2-(piperonyloylamino)acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H20N2O8 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H20N2O8/c1-12-3-4-14(21(27)28-2)7-15(12)23-18(24)10-29-19(25)9-22-20(26)13-5-6-16-17(8-13)31-11-30-16/h3-8H,9-11H2,1-2H3,(H,22,26)(H,23,24)