ethyl 1-[2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl]oxy-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethoxy]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxy-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[2-keto-1-methyl-2-(piperonylamino)ethoxy]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N2O7 MolecularWeight: 430.45104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O7/c1-5-28-22(27)17-8-13(2)24(14(17)3)11-20(25)31-15(4)21(26)23-10-16-6-7-18-19(9-16)30-12-29-18/h6-9,15H,5,10-12H2,1-4H3,(H,23,26)