diethyl 2-[2-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[2-[2-(4-methoxyphenyl)carbonylpyrrol-1-yl]ethyl]propanedioate Openeye Name: diethyl 2-[2-[2-(4-methoxybenzoyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(4-methoxyphenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-[2-(4-methoxybenzoyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-(2-p-anisoylpyrrol-1-yl)ethyl]malonic acid diethyl ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-4-27-20(24)17(21(25)28-5-2)12-14-22-13-6-7-18(22)19(23)15-8-10-16(26-3)11-9-15/h6-11,13,17H,4-5,12,14H2,1-3H3