[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate CAS Name: 4-[[(2R)-2-oxolanyl]methoxy]benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate Traditional Name: 4-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC=C(C=C1)OCC2CCCO2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=C(C=C1)OC[C@H]2CCCO2)C3(CCCCC3)C#N

InChI

InChI=1S/C22H28N2O5/c1-24(22(16-23)11-3-2-4-12-22)20(25)15-29-21(26)17-7-9-18(10-8-17)28-14-19-6-5-13-27-19/h7-10,19H,2-6,11-15H2,1H3/t19-/m1/s1