diethyl 2-[2-[2-(3-methylphenyl)carbonylpyrrol-1-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[2-(3-methylphenyl)carbonylpyrrol-1-yl]ethyl]propanedioate Openeye Name: diethyl 2-[2-[2-(3-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(3-methylphenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-(3-methylbenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-(2-m-toluoylpyrrol-1-yl)ethyl]malonic acid diethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCN1C=CC=C1C(=O)C2=CC(=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCN1C=CC=C1C(=O)C2=CC(=CC=C2)C)C(=O)OCC

InChI

InChI=1S/C21H25NO5/c1-4-26-20(24)17(21(25)27-5-2)11-13-22-12-7-10-18(22)19(23)16-9-6-8-15(3)14-16/h6-10,12,14,17H,4-5,11,13H2,1-3H3