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

Systemtic Name: 2-(4-tert-butylphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-tert-butylphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-tert-butylphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-tert-butylphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-tert-butylphenyl)-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-3-pyrrolin-3-olate Formula: C31H36N2O6 MolecularWeight: 532.62734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H36N2O6/c1-31(2,3)22-11-9-20(10-12-22)26-25(27(34)24-19-21-7-5-8-23(37-4)29(21)39-24)28(35)30(36)33(26)14-6-13-32-15-17-38-18-16-32/h5,7-12,19,26,35H,6,13-18H2,1-4H3