1-[(3aS,6R,7R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(2-methylphenyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[(3aS,6R,7R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(2-methylphenyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-oxidanyl-ethanone Openeye Name: 1-[(3aS,6R,7R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(o-tolyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-hydroxy-ethanone CAS Name: 1-[(3aS,6R,7R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(2-methylphenyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-hydroxyethanone IUPAC Name: 1-[(3aS,6R,7R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(2-methylphenyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-hydroxyethanone Traditional Name: 1-[(3aS,6R,7R)-6-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-7-(o-tolyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-2-hydroxy-ethanone Formula: C26H27F6NO4 MolecularWeight: 531.487299

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3CN(CC3COC2OC(C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)CO

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2[C@H](OC[C@H]3C2CN(C3)C(=O)CO)O[C@H](C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C26H27F6NO4/c1-14-5-3-4-6-20(14)23-21-11-33(22(35)12-34)10-17(21)13-36-24(23)37-15(2)16-7-18(25(27,28)29)9-19(8-16)26(30,31)32/h3-9,15,17,21,23-24,34H,10-13H2,1-2H3/t15-,17+,21?,23+,24-/m1/s1