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

Systemtic Name: methyl (3aS,6S,7R,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(2-methylphenyl)-1-oxidanyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate Openeye Name: methyl (3aS,6S,7R,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-hydroxy-7-(o-tolyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate CAS Name: (3aS,6S,7R,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-hydroxy-7-(2-methylphenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid methyl ester IUPAC Name: methyl (3aS,6S,7R,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-hydroxy-7-(2-methylphenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate Traditional Name: (3aS,6S,7R,7aR)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-hydroxy-7-(o-tolyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylic acid methyl ester Formula: C27H29F6NO4 MolecularWeight: 545.513879

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C(CCC3C2C(N(C3)C(=O)OC)O)OC(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2[C@H](CC[C@H]3[C@H]2C(N(C3)C(=O)OC)O)O[C@H](C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C27H29F6NO4/c1-14-6-4-5-7-20(14)23-21(9-8-16-13-34(25(36)37-3)24(35)22(16)23)38-15(2)17-10-18(26(28,29)30)12-19(11-17)27(31,32)33/h4-7,10-12,15-16,21-24,35H,8-9,13H2,1-3H3/t15-,16-,21+,22-,23-,24?/m1/s1