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

Systemtic Name: 5-[2-[2-(4-butylfuran-2-yl)carbonylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Openeye Name: 5-[2-[2-(4-butylfuran-2-carbonyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione CAS Name: 5-[2-[2-[(4-butyl-2-furanyl)-oxomethyl]-1-pyrrolyl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione IUPAC Name: 5-[2-[2-(4-butylfuran-2-carbonyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-dione Traditional Name: 5-[2-[2-(4-butyl-2-furoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4,6-quinone Formula: C21H25NO6 MolecularWeight: 387.4263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=COC(=C1)C(=O)C2=CC=CN2CCC3C(=O)OC(OC3=O)(C)C

Isomeric SMILES

CCCCC1=COC(=C1)C(=O)C2=CC=CN2CCC3C(=O)OC(OC3=O)(C)C

InChI

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