(E)-but-2-enedioic acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine Openeye Name: fumaric acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine CAS Name: (E)-2-butenedioic acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine Traditional Name: fumaric acid; 1-[2-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]ethyl]pyrrolidine Formula: C24H26F3NO5 MolecularWeight: 465.46215

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3C(F)(F)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H22F3NO.C4H4O4/c21-20(22,23)18-11-5-4-10-17(18)19(16-8-2-1-3-9-16)25-15-14-24-12-6-7-13-24;5-3(6)1-2-4(7)8/h1-5,8-11,19H,6-7,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+