bis[3,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanol; ethanedioic acid; hydrate

Systemtic Name: bis[3,4-bis(fluoranyl)phenyl]-piperidin-4-yl-methanol; ethanedioic acid; hydrate Openeye Name: bis(3,4-difluorophenyl)-(4-piperidyl)methanol; oxalic acid; hydrate CAS Name: bis(3,4-difluorophenyl)-(4-piperidinyl)methanol; oxalic acid; hydrate IUPAC Name: bis(3,4-difluorophenyl)-piperidin-4-ylmethanol; oxalic acid; hydrate Traditional Name: bis(3,4-difluorophenyl)-(4-piperidyl)methanol; oxalic acid; hydrate Formula: C20H21F4NO6 MolecularWeight: 447.377453

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(C2=CC(=C(C=C2)F)F)(C3=CC(=C(C=C3)F)F)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

C1CNCCC1C(C2=CC(=C(C=C2)F)F)(C3=CC(=C(C=C3)F)F)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C18H17F4NO.C2H2O4.H2O/c19-14-3-1-12(9-16(14)21)18(24,11-5-7-23-8-6-11)13-2-4-15(20)17(22)10-13;3-1(4)2(5)6;/h1-4,9-11,23-24H,5-8H2;(H,3,4)(H,5,6);1H2