(E)-but-2-enedioic acid; 4-(4-fluoranylphenoxy)-1-(3-methylbut-2-enyl)-3-phenyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylphenoxy)-1-(3-methylbut-2-enyl)-3-phenyl-piperidine Openeye Name: 4-(4-fluorophenoxy)-1-(3-methylbut-2-enyl)-3-phenyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluorophenoxy)-1-(3-methylbut-2-enyl)-3-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenoxy)-1-(3-methylbut-2-enyl)-3-phenylpiperidine Traditional Name: 4-(4-fluorophenoxy)-1-(3-methylbut-2-enyl)-3-phenyl-piperidine; fumaric acid Formula: C26H30FNO5 MolecularWeight: 455.518503

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=C(C=C3)F)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=CCN1CCC(C(C1)C2=CC=CC=C2)OC3=CC=C(C=C3)F)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26FNO.C4H4O4/c1-17(2)12-14-24-15-13-22(25-20-10-8-19(23)9-11-20)21(16-24)18-6-4-3-5-7-18;5-3(6)1-2-4(7)8/h3-12,21-22H,13-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+