2,2-bis(4-fluorophenyl)-2-piperidin-4-yl-ethanenitrile; diethyl ethanedioate

Systemtic Name: 2,2-bis(4-fluorophenyl)-2-piperidin-4-yl-ethanenitrile; diethyl ethanedioate Openeye Name: 2,2-bis(4-fluorophenyl)-2-(4-piperidyl)acetonitrile; diethyl oxalate CAS Name: 2,2-bis(4-fluorophenyl)-2-(4-piperidinyl)acetonitrile; oxalic acid diethyl ester IUPAC Name: 2,2-bis(4-fluorophenyl)-2-piperidin-4-ylacetonitrile; diethyl oxalate Traditional Name: 2,2-bis(4-fluorophenyl)-2-(4-piperidyl)acetonitrile; oxalic acid diethyl ester Formula: C25H28F2N2O4 MolecularWeight: 458.497626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)OCC.C1CNCCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C(=O)OCC.C1CNCCC1C(C#N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H18F2N2.C6H10O4/c20-17-5-1-14(2-6-17)19(13-22,16-9-11-23-12-10-16)15-3-7-18(21)8-4-15;1-3-9-5(7)6(8)10-4-2/h1-8,16,23H,9-12H2;3-4H2,1-2H3