N-[(1R,3S)-5-azanyl-2-adamantyl]-2-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide

Systemtic Name: N-[(1R,3S)-5-azanyl-2-adamantyl]-2-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide Openeye Name: N-[(1R,3S)-5-amino-2-adamantyl]-2-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide CAS Name: N-[(1R,3S)-5-amino-2-adamantyl]-2-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide IUPAC Name: N-[(1R,3S)-5-amino-2-adamantyl]-2-methyl-2-[2-(trifluoromethyl)phenoxy]propanamide Traditional Name: N-[(1R,3S)-5-amino-2-adamantyl]-2-methyl-2-[2-(trifluoromethyl)phenoxy]propionamide Formula: C21H27F3N2O2 MolecularWeight: 396.44649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)N)OC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)NC1[C@@H]2CC3C[C@H]1CC(C2)(C3)N)OC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H27F3N2O2/c1-19(2,28-16-6-4-3-5-15(16)21(22,23)24)18(27)26-17-13-7-12-8-14(17)11-20(25,9-12)10-13/h3-6,12-14,17H,7-11,25H2,1-2H3,(H,26,27)/t12?,13-,14+,17?,20?