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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(CC1(C(F)(F)F)O)N2CCCC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(CC1(C(F)(F)F)O)N2CCCC2)C(=O)C3=CC=CC=C3

InChI

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