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

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)COC4=CC=C(C=C4)C#N

InChI

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