2-(3,4-diethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(3,4-diethoxyphenyl)-3-(5-methylfuran-2-yl)carbonyl-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(3,4-diethoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(3,4-diethoxyphenyl)-3-[(5-methyl-2-furanyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(3,4-diethoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(3,4-diethoxyphenyl)-2-keto-4-(5-methyl-2-furoyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C27H34N2O7 MolecularWeight: 498.56806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=C(O4)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC=C(O4)C)OCC

InChI

InChI=1S/C27H34N2O7/c1-4-34-20-10-8-19(17-22(20)35-5-2)24-23(25(30)21-9-7-18(3)36-21)26(31)27(32)29(24)12-6-11-28-13-15-33-16-14-28/h7-10,17,24,31H,4-6,11-16H2,1-3H3