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

Systemtic Name: methyl 4-[3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]benzoate Openeye Name: methyl 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholinopropyl)-5-oxo-2H-pyrrol-2-yl]benzoate CAS Name: 4-[3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholinyl)propyl]-5-oxo-2H-pyrrol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]benzoate Traditional Name: 4-[3-(benzofuran-2-carbonyl)-4-hydroxy-5-keto-1-(3-morpholinopropyl)-3-pyrrolin-2-yl]benzoic acid methyl ester Formula: C28H28N2O7 MolecularWeight: 504.53112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H28N2O7/c1-35-28(34)19-9-7-18(8-10-19)24-23(25(31)22-17-20-5-2-3-6-21(20)37-22)26(32)27(33)30(24)12-4-11-29-13-15-36-16-14-29/h2-3,5-10,17,24,32H,4,11-16H2,1H3