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

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(3-imidazol-1-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[3-(1-imidazolyl)propyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-5-keto-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C27H23N3O6 MolecularWeight: 485.48802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H23N3O6/c1-35-27(34)18-9-7-17(8-10-18)23-22(24(31)21-15-19-5-2-3-6-20(19)36-21)25(32)26(33)30(23)13-4-12-29-14-11-28-16-29/h2-3,5-11,14-16,23,32H,4,12-13H2,1H3