2-[(E)-but-1-enyl]-3-oxidanyl-5-oxidanylidene-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 2-[(E)-but-1-enyl]-3-oxidanyl-5-oxidanylidene-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 2-[(E)-but-1-enyl]-3-hydroxy-5-oxo-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-[(E)-but-1-enyl]-3-hydroxy-5-oxo-2-(1-pyrrolidinyl)-4-[3-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 2-[(E)-but-1-enyl]-3-hydroxy-5-oxo-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: (E)-2-[1-hydroxy-3-keto-2-[3-(trifluoromethyl)phenyl]pentyl]-2-pyrrolidino-hex-3-enenitrile Formula: C22H27F3N2O2 MolecularWeight: 408.45719

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CC(C#N)(C(C(C1=CC(=CC=C1)C(F)(F)F)C(=O)CC)O)N2CCCC2

Isomeric SMILES

CC/C=C/C(C#N)(C(C(C1=CC(=CC=C1)C(F)(F)F)C(=O)CC)O)N2CCCC2

InChI

InChI=1S/C22H27F3N2O2/c1-3-5-11-21(15-26,27-12-6-7-13-27)20(29)19(18(28)4-2)16-9-8-10-17(14-16)22(23,24)25/h5,8-11,14,19-20,29H,3-4,6-7,12-13H2,1-2H3/b11-5+