ethyl (1S,2R)-1-phenyl-2-(trideuteriomethylamino)cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,2R)-1-phenyl-2-(trideuteriomethylamino)cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,2R)-1-phenyl-2-(trideuteriomethylamino)cyclohex-3-ene-1-carboxylate CAS Name: (1S,2R)-1-phenyl-2-(trideuteriomethylamino)-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-1-phenyl-2-(trideuteriomethylamino)cyclohex-3-ene-1-carboxylate Traditional Name: (1S,2R)-1-phenyl-2-(trideuteriomethylamino)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C16H21NO2 MolecularWeight: 262.361925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC=CC1NC)C2=CC=CC=C2

Isomeric SMILES

[2H]C([2H])([2H])N[C@@H]1C=CCC[C@@]1(C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C16H21NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-7,9-11,14,17H,3,8,12H2,1-2H3/t14-,16+/m1/s1/i2D3