[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpropoxy)benzoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C22H30N2O4/c1-16(2)14-27-19-10-8-18(9-11-19)21(26)28-17(3)20(25)24(4)22(15-23)12-6-5-7-13-22/h8-11,16-17H,5-7,12-14H2,1-4H3/t17-/m1/s1