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

Systemtic Name: diethyl 2-[2-[2-(4-butylfuran-2-yl)carbonylpyrrol-1-yl]ethyl]propanedioate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C22H29NO6 MolecularWeight: 403.46876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6/c1-4-7-9-16-14-19(29-15-16)20(24)18-10-8-12-23(18)13-11-17(21(25)27-5-2)22(26)28-6-3/h8,10,12,14-15,17H,4-7,9,11,13H2,1-3H3