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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-phenyl-3-pyrrolin-3-olate Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O6/c1-33-20-10-5-9-19-17-21(35-26(19)20)24(30)22-23(18-7-3-2-4-8-18)29(27(32)25(22)31)12-6-11-28-13-15-34-16-14-28/h2-5,7-10,17,23,31H,6,11-16H2,1H3