(E)-[2-(4-butoxy-3-ethoxy-phenyl)-1-[2-(diethylazaniumyl)ethyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Systemtic Name: (E)-[2-(4-butoxy-3-ethoxy-phenyl)-1-[2-(diethylazaniumyl)ethyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate Openeye Name: (E)-[2-(4-butoxy-3-ethoxy-phenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate CAS Name: (E)-[2-(4-butoxy-3-ethoxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate IUPAC Name: (E)-[2-(4-butoxy-3-ethoxyphenyl)-1-[2-(diethylazaniumyl)ethyl]-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate Traditional Name: (E)-[2-(4-butoxy-3-ethoxy-phenyl)-1-[2-(diethylammonio)ethyl]-4,5-diketo-pyrrolidin-3-ylidene]-(2-methylcoumaran-5-yl)methanolate Formula: C32H42N2O6 MolecularWeight: 550.68568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)[O-])C(=O)C(=O)N2CC[NH+](CC)CC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\[O-])/C(=O)C(=O)N2CC[NH+](CC)CC)OCC

InChI

InChI=1S/C32H42N2O6/c1-6-10-17-39-26-14-11-22(20-27(26)38-9-4)29-28(31(36)32(37)34(29)16-15-33(7-2)8-3)30(35)23-12-13-25-24(19-23)18-21(5)40-25/h11-14,19-21,29,35H,6-10,15-18H2,1-5H3/b30-28+