3-[(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1-oxidanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2H-pyran-5-one

Systemtic Name: 3-[(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1-oxidanyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2H-pyran-5-one Openeye Name: 3-[(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2H-pyran-5-one CAS Name: 3-[(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2H-pyran-5-one IUPAC Name: 3-[(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2H-pyran-5-one Traditional Name: 3-[(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2H-pyran-5-one Formula: C29H28F7NO4 MolecularWeight: 587.525742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2CCC3C(C2C4=CC=C(C=C4)F)CN(C3O)C5=CC(=O)COC5

Isomeric SMILES

C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2CC[C@H]3[C@H]([C@@H]2C4=CC=C(C=C4)F)CN(C3O)C5=CC(=O)COC5

InChI

InChI=1S/C29H28F7NO4/c1-15(17-8-18(28(31,32)33)10-19(9-17)29(34,35)36)41-25-7-6-23-24(26(25)16-2-4-20(30)5-3-16)12-37(27(23)39)21-11-22(38)14-40-13-21/h2-5,8-11,15,23-27,39H,6-7,12-14H2,1H3/t15-,23+,24-,25+,26+,27?/m1/s1