[(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-propanoylphenoxy)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-propanoylphenoxy)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]acetic acid [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid [(1R)-2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O5 MolecularWeight: 386.44154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)OC(C)C(=O)NC2(CCCCC2)C#N

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)O[C@H](C)C(=O)NC2(CCCCC2)C#N

InChI

InChI=1S/C21H26N2O5/c1-3-18(24)16-7-9-17(10-8-16)27-13-19(25)28-15(2)20(26)23-21(14-22)11-5-4-6-12-21/h7-10,15H,3-6,11-13H2,1-2H3,(H,23,26)/t15-/m1/s1