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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

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