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]cyclohex-2-en-1-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]cyclohex-2-en-1-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]cyclohex-2-en-1-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]-1-cyclohex-2-enone 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]cyclohex-2-en-1-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]cyclohex-2-en-1-one Formula: C31H32F7NO3 MolecularWeight: 599.579502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)C2C(CCC3C2CN(C3O)C4=CC(=O)CCC4)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)CCC4)O[C@H](C)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C31H32F7NO3/c1-16-10-21(32)6-7-24(16)28-26-15-39(22-4-3-5-23(40)14-22)29(41)25(26)8-9-27(28)42-17(2)18-11-19(30(33,34)35)13-20(12-18)31(36,37)38/h6-7,10-14,17,25-29,41H,3-5,8-9,15H2,1-2H3/t17-,25+,26-,27+,28+,29?/m1/s1