[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenoxy)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-cyanophenoxy)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=CC=C4C#N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=CC=C4C#N

InChI

InChI=1S/C22H26N2O4/c1-14(28-20(25)13-27-19-5-3-2-4-18(19)12-23)21(26)24-22-9-15-6-16(10-22)8-17(7-15)11-22/h2-5,14-17H,6-11,13H2,1H3,(H,24,26)/t14-,15?,16?,17?,22?/m1/s1