(3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluoranyl-2-methyl-phenyl)-N-methyl-1-oxidanyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide

Systemtic Name: (3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluoranyl-2-methyl-phenyl)-N-methyl-1-oxidanyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide Openeye Name: (3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluoro-2-methyl-phenyl)-1-hydroxy-N-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide CAS Name: (3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluoro-2-methylphenyl)-1-hydroxy-N-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide IUPAC Name: (3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluoro-2-methylphenyl)-1-hydroxy-N-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide Traditional Name: (3aS,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluoro-2-methyl-phenyl)-1-hydroxy-N-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide Formula: C27H29F7N2O3 MolecularWeight: 562.519582

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H29F7N2O3/c1-13-8-18(28)4-5-19(13)23-21-12-36(25(38)35-3)24(37)20(21)6-7-22(23)39-14(2)15-9-16(26(29,30)31)11-17(10-15)27(32,33)34/h4-5,8-11,14,20-24,37H,6-7,12H2,1-3H3,(H,35,38)/t14-,20+,21-,22+,23+,24?/m1/s1