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

Systemtic Name: (2R)-3-(1-benzofuran-2-ylcarbonyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2R)-3-(benzofuran-2-carbonyl)-1-[2-(diethylammonio)ethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2R)-3-[2-benzofuranyl(oxo)methyl]-1-[2-(diethylammonio)ethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2R)-3-(1-benzofuran-2-carbonyl)-1-[2-(diethylazaniumyl)ethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5R)-4-(benzofuran-2-carbonyl)-1-[2-(diethylammonio)ethyl]-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O4/c1-3-26(4-2)14-15-27-22(17-10-6-5-7-11-17)21(24(29)25(27)30)23(28)20-16-18-12-8-9-13-19(18)31-20/h5-13,16,22,29H,3-4,14-15H2,1-2H3/t22-/m1/s1