2,2-dimethyl-5-[2-[2-(3-methylphenyl)carbonylpyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione

Systemtic Name: 2,2-dimethyl-5-[2-[2-(3-methylphenyl)carbonylpyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Openeye Name: 2,2-dimethyl-5-[2-[2-(3-methylbenzoyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione CAS Name: 2,2-dimethyl-5-[2-[2-[(3-methylphenyl)-oxomethyl]-1-pyrrolyl]ethyl]-1,3-dioxane-4,6-dione IUPAC Name: 2,2-dimethyl-5-[2-[2-(3-methylbenzoyl)pyrrol-1-yl]ethyl]-1,3-dioxane-4,6-dione Traditional Name: 2,2-dimethyl-5-[2-(2-m-toluoylpyrrol-1-yl)ethyl]-1,3-dioxane-4,6-quinone Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CC=CN2CCC3C(=O)OC(OC3=O)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CC=CN2CCC3C(=O)OC(OC3=O)(C)C

InChI

InChI=1S/C20H21NO5/c1-13-6-4-7-14(12-13)17(22)16-8-5-10-21(16)11-9-15-18(23)25-20(2,3)26-19(15)24/h4-8,10,12,15H,9,11H2,1-3H3