1-[2-(dimethylazaniumyl)ethyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate

Systemtic Name: 1-[2-(dimethylazaniumyl)ethyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Openeye Name: 1-[2-(dimethylammonio)ethyl]-2-(4-isopropylphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 1-[2-(dimethylammonio)ethyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-[2-(dimethylazaniumyl)ethyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-4-olate Traditional Name: 1-[2-(dimethylammonio)ethyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-p-cumenyl-3-pyrrolin-3-olate Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC4=C(O3)C(=CC=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)[O-])C(=O)C3=CC4=C(O3)C(=CC=C4)OC

InChI

InChI=1S/C27H30N2O5/c1-16(2)17-9-11-18(12-10-17)23-22(25(31)27(32)29(23)14-13-28(3)4)24(30)21-15-19-7-6-8-20(33-5)26(19)34-21/h6-12,15-16,23,31H,13-14H2,1-5H3