ethyl 5-[(2S)-2-(1,3-benzodioxol-5-ylcarbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(1,3-benzodioxol-5-ylcarbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-(1,3-benzodioxole-5-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[1,3-benzodioxol-5-yl(oxo)methoxy]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(1,3-benzodioxole-5-carbonyloxy)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-piperonyloyloxypropanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)OC(=O)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)OC(=O)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H21NO7/c1-5-25-20(24)16-10(2)17(21-11(16)3)18(22)12(4)28-19(23)13-6-7-14-15(8-13)27-9-26-14/h6-8,12,21H,5,9H2,1-4H3/t12-/m0/s1