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

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(3-methoxypropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-5-keto-1-(3-methoxypropyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C25H23NO7 MolecularWeight: 449.45262

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COCCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H23NO7/c1-31-13-5-12-26-21(15-8-10-16(11-9-15)25(30)32-2)20(23(28)24(26)29)22(27)19-14-17-6-3-4-7-18(17)33-19/h3-4,6-11,14,21,28H,5,12-13H2,1-2H3