5-[(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]-1-(phenylmethyl)-2,6-dihydropyridin-3-one

Systemtic Name: 5-[(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]-1-(phenylmethyl)-2,6-dihydropyridin-3-one Openeye Name: 5-[(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]-1-benzyl-2,6-dihydropyridin-3-one CAS Name: 5-[(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]-1-(phenylmethyl)-2,6-dihydropyridin-3-one IUPAC Name: 5-[(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]-1-benzyl-2,6-dihydropyridin-3-one Traditional Name: 5-[(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]-1-benzyl-2,6-dihydropyridin-3-one Formula: C36H35F7N2O3 MolecularWeight: 676.663522

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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)CN(C5)CC6=CC=CC=C6

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)CN(C5)CC6=CC=CC=C6

InChI

InChI=1S/C36H35F7N2O3/c1-21(24-13-25(35(38,39)40)15-26(14-24)36(41,42)43)48-32-12-11-30-31(33(32)23-7-9-27(37)10-8-23)20-45(34(30)47)28-16-29(46)19-44(18-28)17-22-5-3-2-4-6-22/h2-10,13-16,21,30-34,47H,11-12,17-20H2,1H3/t21-,30+,31-,32+,33+,34?/m1/s1