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

Systemtic Name: 2-(4-tert-butylphenyl)-1-[2-(dimethylazaniumyl)ethyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 2-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 2-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 2-(4-tert-butylphenyl)-1-[2-(dimethylazaniumyl)ethyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 5-(4-tert-butylphenyl)-1-[2-(dimethylammonio)ethyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-3-olate Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(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)(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/C28H32N2O5/c1-28(2,3)19-12-10-17(11-13-19)23-22(25(32)27(33)30(23)15-14-29(4)5)24(31)21-16-18-8-7-9-20(34-6)26(18)35-21/h7-13,16,23,32H,14-15H2,1-6H3