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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-2-(4-ethoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-(4-ethoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(diethylammonio)propyl]-2-(4-ethoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylazaniumyl)propyl]-2-(4-ethoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-keto-5-p-phenetyl-3-pyrrolin-3-olate Formula: C28H32N2O5 MolecularWeight: 476.56408

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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=C(C=C4)OCC

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5/c1-4-29(5-2)16-9-17-30-25(19-12-14-21(15-13-19)34-6-3)24(27(32)28(30)33)26(31)23-18-20-10-7-8-11-22(20)35-23/h7-8,10-15,18,25,32H,4-6,9,16-17H2,1-3H3