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

Systemtic Name: ethyl 6-[(3-methylphenyl)amino]-2-oxidanyl-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate Openeye Name: ethyl 2-hydroxy-6-(3-methylanilino)-4-phenyl-2-(trifluoromethyl)tetrahydropyran-3-carboxylate CAS Name: 2-hydroxy-6-(3-methylanilino)-4-phenyl-2-(trifluoromethyl)-3-oxanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-6-(3-methylanilino)-4-phenyl-2-(trifluoromethyl)oxane-3-carboxylate Traditional Name: 2-hydroxy-6-(m-toluidino)-4-phenyl-2-(trifluoromethyl)tetrahydropyran-3-carboxylic acid ethyl ester Formula: C22H24F3NO4 MolecularWeight: 423.42547

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24F3NO4/c1-3-29-20(27)19-17(15-9-5-4-6-10-15)13-18(30-21(19,28)22(23,24)25)26-16-11-7-8-14(2)12-16/h4-12,17-19,26,28H,3,13H2,1-2H3