N-(2-methylpropyl)-4-[1,1,1-tris(fluoranyl)-2-oxidanyl-4-phenyl-but-3-yn-2-yl]benzamide

Systemtic Name: N-(2-methylpropyl)-4-[1,1,1-tris(fluoranyl)-2-oxidanyl-4-phenyl-but-3-yn-2-yl]benzamide Openeye Name: 4-[1-hydroxy-3-phenyl-1-(trifluoromethyl)prop-2-ynyl]-N-isobutyl-benzamide CAS Name: N-(2-methylpropyl)-4-(1,1,1-trifluoro-2-hydroxy-4-phenylbut-3-yn-2-yl)benzamide IUPAC Name: N-(2-methylpropyl)-4-(1,1,1-trifluoro-2-hydroxy-4-phenylbut-3-yn-2-yl)benzamide Traditional Name: 4-[1-hydroxy-3-phenyl-1-(trifluoromethyl)prop-2-ynyl]-N-isobutyl-benzamide Formula: C21H20F3NO2 MolecularWeight: 375.38421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(C=C1)C(C#CC2=CC=CC=C2)(C(F)(F)F)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(C=C1)C(C#CC2=CC=CC=C2)(C(F)(F)F)O

InChI

InChI=1S/C21H20F3NO2/c1-15(2)14-25-19(26)17-8-10-18(11-9-17)20(27,21(22,23)24)13-12-16-6-4-3-5-7-16/h3-11,15,27H,14H2,1-2H3,(H,25,26)