(E)-but-2-enedioic acid; 3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidine Openeye Name: fumaric acid; 3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidine CAS Name: (E)-2-butenedioic acid; 3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidine Traditional Name: fumaric acid; 3-phenyl-4-[4-(trifluoromethyl)phenoxy]piperidine Formula: C22H22F3NO5 MolecularWeight: 437.40899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1OC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCC(C1OC2=CC=C(C=C2)C(F)(F)F)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H18F3NO.C4H4O4/c19-18(20,21)14-6-8-15(9-7-14)23-17-10-11-22-12-16(17)13-4-2-1-3-5-13;5-3(6)1-2-4(7)8/h1-9,16-17,22H,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+