(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-octahydroisoindole-2-carboxamide

Systemtic Name: (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-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-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-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-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-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide Formula: C26H27F7N2O3 MolecularWeight: 548.493002

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H27F7N2O3/c1-12-7-17(27)3-4-18(12)22-20-11-35(24(34)37)23(36)19(20)5-6-21(22)38-13(2)14-8-15(25(28,29)30)10-16(9-14)26(31,32)33/h3-4,7-10,13,19-23,36H,5-6,11H2,1-2H3,(H2,34,37)/t13-,19+,20-,21+,22+,23?/m1/s1