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

Systemtic Name: (E)-but-2-enedioic acid; 1-(cyclopropylmethyl)-4-(4-fluoranylphenoxy)-3-phenyl-piperidine Openeye Name: 1-(cyclopropylmethyl)-4-(4-fluorophenoxy)-3-phenyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-(cyclopropylmethyl)-4-(4-fluorophenoxy)-3-phenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 1-(cyclopropylmethyl)-4-(4-fluorophenoxy)-3-phenylpiperidine Traditional Name: 1-(cyclopropylmethyl)-4-(4-fluorophenoxy)-3-phenyl-piperidine; fumaric acid Formula: C25H28FNO5 MolecularWeight: 441.491923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN2CCC(C(C2)C3=CC=CC=C3)OC4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC1CN2CCC(C(C2)C3=CC=CC=C3)OC4=CC=C(C=C4)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24FNO.C4H4O4/c22-18-8-10-19(11-9-18)24-21-12-13-23(14-16-6-7-16)15-20(21)17-4-2-1-3-5-17;5-3(6)1-2-4(7)8/h1-5,8-11,16,20-21H,6-7,12-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+