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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-3-olate Formula: C28H30N2O8 MolecularWeight: 522.5464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C28H30N2O8/c1-34-21-15-18(16-22(35-2)27(21)36-3)24-23(25(31)20-14-17-6-4-5-7-19(17)38-20)26(32)28(33)30(24)9-8-29-10-12-37-13-11-29/h4-7,14-16,24,32H,8-13H2,1-3H3