(E)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-[3-methyl-4-(2-methylpropoxy)phenyl]methanolate

Systemtic Name: (E)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-[3-methyl-4-(2-methylpropoxy)phenyl]methanolate Openeye Name: (E)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isobutoxy-3-methyl-phenyl)methanolate CAS Name: (E)-[2-(4-ethoxyphenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-[3-methyl-4-(2-methylpropoxy)phenyl]methanolate IUPAC Name: (E)-[2-(4-ethoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-[3-methyl-4-(2-methylpropoxy)phenyl]methanolate Traditional Name: (E)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-p-phenetyl-pyrrolidin-3-ylidene]-(4-isobutoxy-3-methyl-phenyl)methanolate Formula: C31H40N2O6 MolecularWeight: 536.6591

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OCC(C)C)C)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OCC(C)C)C)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C31H40N2O6/c1-5-38-25-10-7-23(8-11-25)28-27(29(34)24-9-12-26(22(4)19-24)39-20-21(2)3)30(35)31(36)33(28)14-6-13-32-15-17-37-18-16-32/h7-12,19,21,28,34H,5-6,13-18,20H2,1-4H3/b29-27+