bis(3-fluorophenyl)-[1-(phenylmethyl)piperidin-4-yl]methanol; (E)-but-2-enedioate

Systemtic Name: bis(3-fluorophenyl)-[1-(phenylmethyl)piperidin-4-yl]methanol; (E)-but-2-enedioate Openeye Name: (1-benzyl-4-piperidyl)-bis(3-fluorophenyl)methanol; (E)-but-2-enedioate CAS Name: bis(3-fluorophenyl)-[1-(phenylmethyl)-4-piperidinyl]methanol; (E)-2-butenedioate IUPAC Name: (1-benzylpiperidin-4-yl)-bis(3-fluorophenyl)methanol; (E)-but-2-enedioate Traditional Name: (1-benzyl-4-piperidyl)-bis(3-fluorophenyl)methanol fumarate Formula: C29H27F2NO5-2 MolecularWeight: 507.525186

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC(=CC=C2)F)(C3=CC(=CC=C3)F)O)CC4=CC=CC=C4.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CCC1C(C2=CC(=CC=C2)F)(C3=CC(=CC=C3)F)O)CC4=CC=CC=C4.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C25H25F2NO.C4H4O4/c26-23-10-4-8-21(16-23)25(29,22-9-5-11-24(27)17-22)20-12-14-28(15-13-20)18-19-6-2-1-3-7-19;5-3(6)1-2-4(7)8/h1-11,16-17,20,29H,12-15,18H2;1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+