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

Systemtic Name: (E)-[2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-propan-2-yloxyphenyl)methanolate Openeye Name: (E)-[2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-isopropoxyphenyl)methanolate CAS Name: (E)-[2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-propan-2-yloxyphenyl)methanolate IUPAC Name: (E)-[2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-(4-propan-2-yloxyphenyl)methanolate Traditional Name: (E)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-2-p-phenetyl-pyrrolidin-3-ylidene]-(4-isopropoxyphenyl)methanolate Formula: C28H31N3O5 MolecularWeight: 489.56284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)OC(C)C)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\[O-])/C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C28H31N3O5/c1-4-35-22-10-6-20(7-11-22)25-24(26(32)21-8-12-23(13-9-21)36-19(2)3)27(33)28(34)31(25)16-5-15-30-17-14-29-18-30/h6-14,17-19,25H,4-5,15-16H2,1-3H3,(H,32,33)