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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(4-methoxycarbonylphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methoxycarbonylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-carbomethoxyphenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C29H30N2O8 MolecularWeight: 534.5571

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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)C(=O)OC)CCC[NH+]5CCOCC5)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O8/c1-36-21-6-3-5-20-17-22(39-27(20)21)25(32)23-24(18-7-9-19(10-8-18)29(35)37-2)31(28(34)26(23)33)12-4-11-30-13-15-38-16-14-30/h3,5-10,17,24,33H,4,11-16H2,1-2H3