3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-isopropylphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-(3-morpholin-4-ium-4-ylpropyl)-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-2-keto-1-(3-morpholin-4-ium-4-ylpropyl)-5-p-cumenyl-3-pyrrolin-3-olate Formula: C29H32N2O5 MolecularWeight: 488.57478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C29H32N2O5/c1-19(2)20-8-10-21(11-9-20)26-25(27(32)24-18-22-6-3-4-7-23(22)36-24)28(33)29(34)31(26)13-5-12-30-14-16-35-17-15-30/h3-4,6-11,18-19,26,33H,5,12-17H2,1-2H3