(E)-[2-(3-ethoxy-4-prop-2-enoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate

Systemtic Name: (E)-[2-(3-ethoxy-4-prop-2-enoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate Openeye Name: (E)-[2-(4-allyloxy-3-ethoxy-phenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate CAS Name: (E)-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(2-methyl-2,3-dihydrobenzofuran-5-yl)methanolate IUPAC Name: (E)-[2-(3-ethoxy-4-prop-2-enoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate Traditional Name: (E)-[2-(4-allyloxy-3-ethoxy-phenyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(2-methylcoumaran-5-yl)methanolate Formula: C32H38N2O7 MolecularWeight: 562.65332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)[O-])C(=O)C(=O)N2CCC[NH+]5CCOCC5)OCC=C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2/C(=C(/C3=CC4=C(C=C3)OC(C4)C)\[O-])/C(=O)C(=O)N2CCC[NH+]5CCOCC5)OCC=C

InChI

InChI=1S/C32H38N2O7/c1-4-15-40-26-10-7-22(20-27(26)39-5-2)29-28(30(35)23-8-9-25-24(19-23)18-21(3)41-25)31(36)32(37)34(29)12-6-11-33-13-16-38-17-14-33/h4,7-10,19-21,29,35H,1,5-6,11-18H2,2-3H3/b30-28+