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

Systemtic Name: 1-[2-(dimethylazaniumyl)ethyl]-2-(4-ethoxyphenyl)-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 1-[2-(dimethylammonio)ethyl]-2-(4-ethoxyphenyl)-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 1-[2-(dimethylazaniumyl)ethyl]-2-(4-ethoxyphenyl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 1-[2-(dimethylammonio)ethyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-p-phenetyl-3-pyrrolin-3-olate Formula: C26H28N2O6 MolecularWeight: 464.51032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C26H28N2O6/c1-5-33-18-11-9-16(10-12-18)22-21(24(30)26(31)28(22)14-13-27(2)3)23(29)20-15-17-7-6-8-19(32-4)25(17)34-20/h6-12,15,22,30H,5,13-14H2,1-4H3