(E)-(4-ethoxyphenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-(3-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(4-ethoxyphenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-(3-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-[2-(3-allyloxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-ethoxyphenyl)methanolate CAS Name: (E)-(4-ethoxyphenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(3-prop-2-enoxyphenyl)-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-ethoxyphenyl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(3-prop-2-enoxyphenyl)pyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[2-(3-allyloxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-p-phenetyl-methanolate Formula: C28H29N3O5 MolecularWeight: 487.54696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC(=CC=C4)OCC=C)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC(=CC=C4)OCC=C)/[O-]

InChI

InChI=1S/C28H29N3O5/c1-3-17-36-23-8-5-7-21(18-23)25-24(26(32)20-9-11-22(12-10-20)35-4-2)27(33)28(34)31(25)15-6-14-30-16-13-29-19-30/h3,5,7-13,16,18-19,25H,1,4,6,14-15,17H2,2H3,(H,32,33)