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

Systemtic Name: (E)-but-2-enedioic acid; 4-(4-fluoranylphenoxy)-1-phenethyl-3-phenyl-piperidine Openeye Name: 4-(4-fluorophenoxy)-1-phenethyl-3-phenyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(4-fluorophenoxy)-1-phenethyl-3-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(4-fluorophenoxy)-1-phenethyl-3-phenylpiperidine Traditional Name: 4-(4-fluorophenoxy)-1-phenethyl-3-phenyl-piperidine; fumaric acid Formula: C29H30FNO5 MolecularWeight: 491.550603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1OC2=CC=C(C=C2)F)C3=CC=CC=C3)CCC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC(C1OC2=CC=C(C=C2)F)C3=CC=CC=C3)CCC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H26FNO.C4H4O4/c26-22-11-13-23(14-12-22)28-25-16-18-27(17-15-20-7-3-1-4-8-20)19-24(25)21-9-5-2-6-10-21;5-3(6)1-2-4(7)8/h1-14,24-25H,15-19H2;1-2H,(H,5,6)(H,7,8)/b;2-1+