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

Systemtic Name: (E)-[2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Openeye Name: (E)-(4-allyloxyphenyl)-[2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-[2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-prop-2-enoxyphenyl)methanolate IUPAC Name: (E)-[2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-(4-prop-2-enoxyphenyl)methanolate Traditional Name: (E)-(4-allyloxyphenyl)-[2-(2-fluorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-pyrrolidin-3-ylidene]methanolate Formula: C26H24FN3O4 MolecularWeight: 461.484863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CC=C4F)[O-]

Isomeric SMILES

C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=CC=C4F)/[O-]

InChI

InChI=1S/C26H24FN3O4/c1-2-16-34-19-10-8-18(9-11-19)24(31)22-23(20-6-3-4-7-21(20)27)30(26(33)25(22)32)14-5-13-29-15-12-28-17-29/h2-4,6-12,15,17,23H,1,5,13-14,16H2,(H,31,32)