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

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(4-propan-2-ylphenoxy)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(4-isopropylphenoxy)acetate CAS Name: 2-(4-propan-2-ylphenoxy)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate Traditional Name: 2-(4-isopropylphenoxy)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=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)COC2=CC=C(C=C2)C(C)C

InChI

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