ethyl (5R,6R)-6-oxidanyl-5-(phenylcarbonyl)-4-pyrrolidin-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethyl (5R,6R)-6-oxidanyl-5-(phenylcarbonyl)-4-pyrrolidin-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylate Openeye Name: ethyl (5R,6R)-5-benzoyl-6-hydroxy-4-pyrrolidin-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylate CAS Name: (5R,6R)-5-benzoyl-6-hydroxy-4-(1-pyrrolidinyl)-6-(trifluoromethyl)-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: ethyl (5R,6R)-5-benzoyl-6-hydroxy-4-pyrrolidin-1-yl-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylate Traditional Name: (5R,6R)-5-benzoyl-6-hydroxy-4-pyrrolidino-6-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C21H22F3NO4 MolecularWeight: 409.39889

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C([C@H]([C@@]1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C21H22F3NO4/c1-2-29-19(27)15-10-11-16(25-12-6-7-13-25)17(20(15,28)21(22,23)24)18(26)14-8-4-3-5-9-14/h3-5,8-11,17,28H,2,6-7,12-13H2,1H3/t17-,20-/m0/s1