dimethyl 2-[2-[2-(4-butylfuran-2-yl)carbonylpyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-(4-butylfuran-2-yl)carbonylpyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-(4-butylfuran-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-[(4-butyl-2-furanyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-(4-butylfuran-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-(4-butyl-2-furoyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=COC(=C1)C(=O)C2=CC=CN2CCC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCC1=COC(=C1)C(=O)C2=CC=CN2CCC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H25NO6/c1-4-5-7-14-12-17(27-13-14)18(22)16-8-6-10-21(16)11-9-15(19(23)25-2)20(24)26-3/h6,8,10,12-13,15H,4-5,7,9,11H2,1-3H3