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

Systemtic Name: ethyl 1-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethoxy]-2-oxo-ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethoxy]-2-oxoethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[2-keto-2-(piperonylamino)ethoxy]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7/c1-4-27-21(26)16-7-13(2)23(14(16)3)10-20(25)28-11-19(24)22-9-15-5-6-17-18(8-15)30-12-29-17/h5-8H,4,9-12H2,1-3H3,(H,22,24)