ethyl 6-[(4-chlorophenyl)amino]-2-oxidanyl-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate

Systemtic Name: ethyl 6-[(4-chlorophenyl)amino]-2-oxidanyl-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate Openeye Name: ethyl 6-(4-chloroanilino)-2-hydroxy-4-phenyl-2-(trifluoromethyl)tetrahydropyran-3-carboxylate CAS Name: 6-(4-chloroanilino)-2-hydroxy-4-phenyl-2-(trifluoromethyl)-3-oxanecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chloroanilino)-2-hydroxy-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate Traditional Name: 6-(4-chloroanilino)-2-hydroxy-4-phenyl-2-(trifluoromethyl)tetrahydropyran-3-carboxylic acid ethyl ester Formula: C21H21ClF3NO4 MolecularWeight: 443.84395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(OC1(C(F)(F)F)O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1C(CC(OC1(C(F)(F)F)O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClF3NO4/c1-2-29-19(27)18-16(13-6-4-3-5-7-13)12-17(30-20(18,28)21(23,24)25)26-15-10-8-14(22)9-11-15/h3-11,16-18,26,28H,2,12H2,1H3