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

Systemtic Name: (E)-[2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: (E)-[2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: (E)-[2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: (E)-[2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: (E)-[2-(3,4-diethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C27H29N3O5 MolecularWeight: 475.53626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O5/c1-3-34-21-12-11-20(17-22(21)35-4-2)24-23(25(31)19-9-6-5-7-10-19)26(32)27(33)30(24)15-8-14-29-16-13-28-18-29/h5-7,9-13,16-18,24H,3-4,8,14-15H2,1-2H3,(H,31,32)