2-(4-ethoxy-3-methoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-ethoxy-3-methoxy-phenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-ethoxy-3-methoxyphenyl)-3-[(5-methyl-2-furanyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-ethoxy-3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-ethoxy-3-methoxy-phenyl)-2-keto-4-(5-methyl-2-furoyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=C(O4)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=C(O4)C)OC

InChI

InChI=1S/C25H30N2O7/c1-4-33-18-8-6-17(15-20(18)31-3)22-21(23(28)19-7-5-16(2)34-19)24(29)25(30)27(22)10-9-26-11-13-32-14-12-26/h5-8,15,22,29H,4,9-14H2,1-3H3