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

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylphenoxy)-3-phenyl-piperidine Openeye Name: 4-(4-fluorophenoxy)-3-phenyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluorophenoxy)-3-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenoxy)-3-phenylpiperidine Traditional Name: 4-(4-fluorophenoxy)-3-phenyl-piperidine; fumaric acid Formula: C21H22FNO5 MolecularWeight: 387.401483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FNO.C4H4O4/c18-14-6-8-15(9-7-14)20-17-10-11-19-12-16(17)13-4-2-1-3-5-13;5-3(6)1-2-4(7)8/h1-9,16-17,19H,10-12H2;1-2H,(H,5,6)(H,7,8)/b;2-1+