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

Systemtic Name: 3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(7-methoxybenzofuran-2-carbonyl)-2-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(3-methoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-(3-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C28H30N2O7 MolecularWeight: 506.547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O7/c1-34-20-8-3-6-18(16-20)24-23(25(31)22-17-19-7-4-9-21(35-2)27(19)37-22)26(32)28(33)30(24)11-5-10-29-12-14-36-15-13-29/h3-4,6-9,16-17,24,32H,5,10-15H2,1-2H3