[(3R)-3-(cyanomethyl)-2-methyl-6-oxidanylidene-heptan-2-yl] ethanoate

Systemtic Name: [(3R)-3-(cyanomethyl)-2-methyl-6-oxidanylidene-heptan-2-yl] ethanoate Openeye Name: [(2R)-2-(cyanomethyl)-1,1-dimethyl-5-oxo-hexyl] acetate CAS Name: acetic acid [(3R)-3-(cyanomethyl)-2-methyl-6-oxoheptan-2-yl] ester IUPAC Name: [(3R)-3-(cyanomethyl)-2-methyl-6-oxoheptan-2-yl] acetate Traditional Name: acetic acid [(2R)-2-(cyanomethyl)-5-keto-1,1-dimethyl-hexyl] ester Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(CC#N)C(C)(C)OC(=O)C

Isomeric SMILES

CC(=O)CC[C@H](CC#N)C(C)(C)OC(=O)C

InChI

InChI=1S/C12H19NO3/c1-9(14)5-6-11(7-8-13)12(3,4)16-10(2)15/h11H,5-7H2,1-4H3/t11-/m1/s1