[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dimethylphenoxy)ethanoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] 2-(2,3-dimethylphenoxy)ethanoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] 2-(2,3-dimethylphenoxy)acetate CAS Name: 2-(2,3-dimethylphenoxy)acetic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(2,3-dimethylphenoxy)acetate Traditional Name: 2-(2,3-dimethylphenoxy)acetic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)O[C@H](C)C(=O)N(C)C2(CCCCC2)C#N)C

InChI

InChI=1S/C21H28N2O4/c1-15-9-8-10-18(16(15)2)26-13-19(24)27-17(3)20(25)23(4)21(14-22)11-6-5-7-12-21/h8-10,17H,5-7,11-13H2,1-4H3/t17-/m1/s1