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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(2,5-dimethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(2,5-dimethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(2,5-dimethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(2,5-dimethoxyphenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C29H32N2O8 MolecularWeight: 536.57298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C29H32N2O8/c1-35-19-8-9-21(36-2)20(17-19)25-24(26(32)23-16-18-6-4-7-22(37-3)28(18)39-23)27(33)29(34)31(25)11-5-10-30-12-14-38-15-13-30/h4,6-9,16-17,25,33H,5,10-15H2,1-3H3