N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-3-phenoxy-benzamide

Systemtic Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-3-phenoxy-benzamide Openeye Name: N-[(1E)-1-[cyano-[3-(trifluoromethyl)phenyl]methylene]-2,2-dimethyl-propyl]-3-phenoxy-benzamide CAS Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-3-phenoxybenzamide IUPAC Name: N-[(E)-1-cyano-3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]but-1-en-2-yl]-3-phenoxybenzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-[3-(trifluoromethyl)phenyl]vinyl]-3-phenoxy-benzamide Formula: C27H23F3N2O2 MolecularWeight: 464.47893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=C(C#N)C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)/C(=C(\C#N)/C1=CC(=CC=C1)C(F)(F)F)/NC(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H23F3N2O2/c1-26(2,3)24(23(17-31)18-9-7-11-20(15-18)27(28,29)30)32-25(33)19-10-8-14-22(16-19)34-21-12-5-4-6-13-21/h4-16H,1-3H3,(H,32,33)/b24-23-