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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-tert-butylphenyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-tert-butylphenyl)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(4-tert-butylphenyl)-1-[3-(diethylammonio)propyl]-2-keto-3-pyrrolin-3-olate Formula: C30H36N2O4 MolecularWeight: 488.61784

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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(C)(C)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(C)(C)C

InChI

InChI=1S/C30H36N2O4/c1-6-31(7-2)17-10-18-32-26(20-13-15-22(16-14-20)30(3,4)5)25(28(34)29(32)35)27(33)24-19-21-11-8-9-12-23(21)36-24/h8-9,11-16,19,26,34H,6-7,10,17-18H2,1-5H3