(E)-but-2-enedioic acid; 1-phenyl-4-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol

Systemtic Name: (E)-but-2-enedioic acid; 1-phenyl-4-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol Openeye Name: fumaric acid; 1-phenyl-4-(1-piperidyl)-1-[4-(trifluoromethyl)phenyl]butan-1-ol CAS Name: (E)-2-butenedioic acid; 1-phenyl-4-(1-piperidinyl)-1-[4-(trifluoromethyl)phenyl]-1-butanol IUPAC Name: (E)-but-2-enedioic acid; 1-phenyl-4-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]butan-1-ol Traditional Name: fumaric acid; 1-phenyl-4-piperidino-1-[4-(trifluoromethyl)phenyl]butan-1-ol Formula: C26H30F3NO5 MolecularWeight: 493.51531

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C(F)(F)F)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCC(C2=CC=CC=C2)(C3=CC=C(C=C3)C(F)(F)F)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26F3NO.C4H4O4/c23-22(24,25)20-12-10-19(11-13-20)21(27,18-8-3-1-4-9-18)14-7-17-26-15-5-2-6-16-26;5-3(6)1-2-4(7)8/h1,3-4,8-13,27H,2,5-7,14-17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+