diethyl 2-methyl-2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]propanedioate

Systemtic Name: diethyl 2-methyl-2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]propanedioate Openeye Name: diethyl 2-methyl-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]propanedioate CAS Name: 2-methyl-2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-methyl-2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]propanedioate Traditional Name: 2-methyl-2-(1-methyl-5-p-toluoyl-pyrrol-2-yl)malonic acid diethyl ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C1=CC=C(N1C)C(=O)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)(C1=CC=C(N1C)C(=O)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C21H25NO5/c1-6-26-19(24)21(4,20(25)27-7-2)17-13-12-16(22(17)5)18(23)15-10-8-14(3)9-11-15/h8-13H,6-7H2,1-5H3