1-[(3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-methyl-7-oxidanyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone

Systemtic Name: 1-[(3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-methyl-7-oxidanyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone Openeye Name: 1-[(3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-hydroxy-7-methyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone CAS Name: 1-[(3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-hydroxy-7-methyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone IUPAC Name: 1-[(3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-7-hydroxy-7-methyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone Traditional Name: 1-[(3aS,4S,7R,7aR)-4-[[3,5-bis(trifluoromethyl)benzyl]oxymethyl]-7-hydroxy-7-methyl-4-phenyl-1,3,3a,5,6,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]-2-(2-methoxyphenyl)ethanone Formula: C33H34F6N2O4 MolecularWeight: 636.624479

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CNC(C2C1CN(C2)C(=O)CC3=CC=CC=C3OC)(COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=CC=C5)O

Isomeric SMILES

C[C@@]1(CN[C@]([C@H]2[C@@H]1CN(C2)C(=O)CC3=CC=CC=C3OC)(COCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CC=CC=C5)O

InChI

InChI=1S/C33H34F6N2O4/c1-30(43)19-40-31(23-9-4-3-5-10-23,20-45-18-21-12-24(32(34,35)36)15-25(13-21)33(37,38)39)27-17-41(16-26(27)30)29(42)14-22-8-6-7-11-28(22)44-2/h3-13,15,26-27,40,43H,14,16-20H2,1-2H3/t26-,27+,30-,31+/m0/s1