2,2-bis(4-fluorophenyl)-2-pyrrolidin-3-yl-ethanenitrile; ethanedioic acid; hydrate

Systemtic Name: 2,2-bis(4-fluorophenyl)-2-pyrrolidin-3-yl-ethanenitrile; ethanedioic acid; hydrate Openeye Name: 2,2-bis(4-fluorophenyl)-2-pyrrolidin-3-yl-acetonitrile; oxalic acid; hydrate CAS Name: 2,2-bis(4-fluorophenyl)-2-(3-pyrrolidinyl)acetonitrile; oxalic acid; hydrate IUPAC Name: 2,2-bis(4-fluorophenyl)-2-pyrrolidin-3-ylacetonitrile; oxalic acid; hydrate Traditional Name: 2,2-bis(4-fluorophenyl)-2-pyrrolidin-3-yl-acetonitrile; oxalic acid; hydrate Formula: C20H20F2N2O5 MolecularWeight: 406.380006

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O.O

Isomeric SMILES

C1CNCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C18H16F2N2.C2H2O4.H2O/c19-16-5-1-13(2-6-16)18(12-21,15-9-10-22-11-15)14-3-7-17(20)8-4-14;3-1(4)2(5)6;/h1-8,15,22H,9-11H2;(H,3,4)(H,5,6);1H2