2-ethoxy-4-[3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]phenolate

Systemtic Name: 2-ethoxy-4-[3-(furan-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-2-yl]phenolate Openeye Name: 2-ethoxy-4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]phenolate CAS Name: 2-ethoxy-4-[3-[2-furanyl(oxo)methyl]-4-hydroxy-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-2-yl]phenolate IUPAC Name: 2-ethoxy-4-[3-(furan-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-2-yl]phenolate Traditional Name: 2-ethoxy-4-[3-(2-furoyl)-4-hydroxy-5-keto-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-2-yl]phenolate Formula: C24H28N2O7 MolecularWeight: 456.48832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)O)C(=O)C4=CC=CO4)[O-]

InChI

InChI=1S/C24H28N2O7/c1-2-32-19-15-16(6-7-17(19)27)21-20(22(28)18-5-3-12-33-18)23(29)24(30)26(21)9-4-8-25-10-13-31-14-11-25/h3,5-7,12,15,21,27,29H,2,4,8-11,13-14H2,1H3