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

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-1-(pyridin-4-ylmethyl)-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(4-pyridylmethyl)-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-1-(pyridin-4-ylmethyl)-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-1-(pyridin-4-ylmethyl)-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-5-keto-1-(4-pyridylmethyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H20N2O6 MolecularWeight: 468.4575

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=NC=C3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=CC=NC=C3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H20N2O6/c1-34-27(33)18-8-6-17(7-9-18)23-22(24(30)21-14-19-4-2-3-5-20(19)35-21)25(31)26(32)29(23)15-16-10-12-28-13-11-16/h2-14,23,31H,15H2,1H3