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

Systemtic Name: (E)-[1-[2-(diethylazaniumyl)ethyl]-4,5-bis(oxidanylidene)-2-(3-phenylmethoxyphenyl)pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate Openeye Name: (E)-[2-(3-benzyloxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate CAS Name: (E)-[1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-phenylmethoxyphenyl)-3-pyrrolidinylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate IUPAC Name: (E)-[1-[2-(diethylazaniumyl)ethyl]-4,5-dioxo-2-(3-phenylmethoxyphenyl)pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate Traditional Name: (E)-[2-(3-benzoxyphenyl)-1-[2-(diethylammonio)ethyl]-4,5-diketo-pyrrolidin-3-ylidene]-(2-methylcoumaran-5-yl)methanolate Formula: C33H36N2O5 MolecularWeight: 540.64934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C2=CC3=C(C=C2)OC(C3)C)[O-])C(=O)C1=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC[NH+](CC)CCN1C(/C(=C(/C2=CC3=C(C=C2)OC(C3)C)\[O-])/C(=O)C1=O)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H36N2O5/c1-4-34(5-2)16-17-35-30(24-12-9-13-27(20-24)39-21-23-10-7-6-8-11-23)29(32(37)33(35)38)31(36)25-14-15-28-26(19-25)18-22(3)40-28/h6-15,19-20,22,30,36H,4-5,16-18,21H2,1-3H3/b31-29+