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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-1-[3-(diethylammonio)propyl]-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-keto-5-p-cumenyl-3-pyrrolin-3-olate Formula: C29H34N2O4 MolecularWeight: 474.59126

Click to see the large picture

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

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

InChI

InChI=1S/C29H34N2O4/c1-5-30(6-2)16-9-17-31-26(21-14-12-20(13-15-21)19(3)4)25(28(33)29(31)34)27(32)24-18-22-10-7-8-11-23(22)35-24/h7-8,10-15,18-19,26,33H,5-6,9,16-17H2,1-4H3