3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(diethylammonio)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C26H28N2O4/c1-3-27(4-2)15-10-16-28-23(18-11-6-5-7-12-18)22(25(30)26(28)31)24(29)21-17-19-13-8-9-14-20(19)32-21/h5-9,11-14,17,23,30H,3-4,10,15-16H2,1-2H3