[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C(C)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)[C@H](C)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H28N2O4/c1-14(29-22(27)15(2)28-20-5-3-16(13-24)4-6-20)21(26)25-23-10-17-7-18(11-23)9-19(8-17)12-23/h3-6,14-15,17-19H,7-12H2,1-2H3,(H,25,26)/t14-,15+,17?,18?,19?,23?/m1/s1