O2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester O4-methyl ester IUPAC Name: 2-O-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-1-methyl-2-(piperonylamino)ethyl] ester O4-methyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

InChI

InChI=1S/C21H24N2O7/c1-5-14-17(20(25)27-4)11(2)18(23-14)21(26)30-12(3)19(24)22-9-13-6-7-15-16(8-13)29-10-28-15/h6-8,12,23H,5,9-10H2,1-4H3,(H,22,24)