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

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylphenoxy)-3-phenyl-1-prop-2-enyl-piperidine Openeye Name: 1-allyl-4-(4-fluorophenoxy)-3-phenyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluorophenoxy)-3-phenyl-1-prop-2-enylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenoxy)-3-phenyl-1-prop-2-enylpiperidine Traditional Name: 1-allyl-4-(4-fluorophenoxy)-3-phenyl-piperidine; fumaric acid Formula: C24H26FNO5 MolecularWeight: 427.465343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FNO.C4H4O4/c1-2-13-22-14-12-20(23-18-10-8-17(21)9-11-18)19(15-22)16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h2-11,19-20H,1,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+