methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-butyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-butyl-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-1-butyl-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-1-butyl-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-1-butyl-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-1-butyl-4-hydroxy-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H23NO6/c1-3-4-13-26-21(15-9-11-16(12-10-15)25(30)31-2)20(23(28)24(26)29)22(27)19-14-17-7-5-6-8-18(17)32-19/h5-12,14,21,28H,3-4,13H2,1-2H3