N-[(E)-4-ethoxy-2-oxidanyl-2-(trifluoromethyl)but-3-enyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(E)-4-ethoxy-2-oxidanyl-2-(trifluoromethyl)but-3-enyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(E)-4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(E)-4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(E)-4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(E)-4-ethoxy-2-hydroxy-2-(trifluoromethyl)but-3-enyl]-2-phenyl-cinchoninamide Formula: C23H21F3N2O3 MolecularWeight: 430.41965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC=CC(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)(C(F)(F)F)O

Isomeric SMILES

CCO/C=C/C(CNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)(C(F)(F)F)O

InChI

InChI=1S/C23H21F3N2O3/c1-2-31-13-12-22(30,23(24,25)26)15-27-21(29)18-14-20(16-8-4-3-5-9-16)28-19-11-7-6-10-17(18)19/h3-14,30H,2,15H2,1H3,(H,27,29)/b13-12+