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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-5-oxo-2-(p-tolyl)-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(diethylammonio)propyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylazaniumyl)propyl]-2-(4-methylphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-keto-5-(p-tolyl)-3-pyrrolin-3-olate Formula: C27H30N2O4 MolecularWeight: 446.5381

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-4-28(5-2)15-8-16-29-24(19-13-11-18(3)12-14-19)23(26(31)27(29)32)25(30)22-17-20-9-6-7-10-21(20)33-22/h6-7,9-14,17,24,31H,4-5,8,15-16H2,1-3H3