3-[(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluoranyl-2-methyl-phenyl)-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-fluoranyl-2-methyl-phenyl)-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-fluoro-2-methyl-phenyl)-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-fluoro-2-methylphenyl)-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-fluoro-2-methylphenyl)-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-fluoro-2-methyl-phenyl)-1-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2H-pyran-5-one Formula: C30H30F7NO4 MolecularWeight: 601.552322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2C(CCC3C2CN(C3O)C4=CC(=O)COC4)OC(C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)F)[C@@H]2[C@H](CC[C@H]3[C@H]2CN(C3O)C4=CC(=O)COC4)O[C@H](C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C30H30F7NO4/c1-15-7-20(31)3-4-23(15)27-25-12-38(21-11-22(39)14-41-13-21)28(40)24(25)5-6-26(27)42-16(2)17-8-18(29(32,33)34)10-19(9-17)30(35,36)37/h3-4,7-11,16,24-28,40H,5-6,12-14H2,1-2H3/t16-,24+,25-,26+,27+,28?/m1/s1