2-(4-fluorophenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 2-(4-fluorophenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-fluorophenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-fluorophenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-fluorophenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-fluorophenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C26H25FN2O6 MolecularWeight: 480.484903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)F)CC[NH+]5CCOCC5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=C(C=C4)F)CC[NH+]5CCOCC5)[O-]

InChI

InChI=1S/C26H25FN2O6/c1-33-19-4-2-3-17-15-20(35-25(17)19)23(30)21-22(16-5-7-18(27)8-6-16)29(26(32)24(21)31)10-9-28-11-13-34-14-12-28/h2-8,15,22,31H,9-14H2,1H3