3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-3-olate Formula: C29H32N2O8 MolecularWeight: 536.57298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H32N2O8/c1-35-22-16-19(17-23(36-2)28(22)37-3)25-24(26(32)21-15-18-7-4-5-8-20(18)39-21)27(33)29(34)31(25)10-6-9-30-11-13-38-14-12-30/h4-5,7-8,15-17,25,33H,6,9-14H2,1-3H3