4-[1-(furan-2-ylmethyl)-5-(3-oxidanylidenebutyl)pyrrol-2-yl]butan-2-one

Systemtic Name: 4-[1-(furan-2-ylmethyl)-5-(3-oxidanylidenebutyl)pyrrol-2-yl]butan-2-one Openeye Name: 4-[1-(2-furylmethyl)-5-(3-oxobutyl)pyrrol-2-yl]butan-2-one CAS Name: 4-[1-(2-furanylmethyl)-5-(3-oxobutyl)-2-pyrrolyl]-2-butanone IUPAC Name: 4-[1-(furan-2-ylmethyl)-5-(3-oxobutyl)pyrrol-2-yl]butan-2-one Traditional Name: 4-[1-(2-furfuryl)-5-(3-ketobutyl)pyrrol-2-yl]butan-2-one Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(N1CC2=CC=CO2)CCC(=O)C

Isomeric SMILES

CC(=O)CCC1=CC=C(N1CC2=CC=CO2)CCC(=O)C

InChI

InChI=1S/C17H21NO3/c1-13(19)5-7-15-9-10-16(8-6-14(2)20)18(15)12-17-4-3-11-21-17/h3-4,9-11H,5-8,12H2,1-2H3