3-[(1R,2S,4R)-2-(cyanomethyl)-4-methyl-6-oxidanylidene-cyclohexyl]propyl ethanoate

Systemtic Name: 3-[(1R,2S,4R)-2-(cyanomethyl)-4-methyl-6-oxidanylidene-cyclohexyl]propyl ethanoate Openeye Name: 3-[(1R,2S,4R)-2-(cyanomethyl)-4-methyl-6-oxo-cyclohexyl]propyl acetate CAS Name: acetic acid 3-[(1R,2S,4R)-2-(cyanomethyl)-4-methyl-6-oxocyclohexyl]propyl ester IUPAC Name: 3-[(1R,2S,4R)-2-(cyanomethyl)-4-methyl-6-oxocyclohexyl]propyl acetate Traditional Name: acetic acid 3-[(1R,2S,4R)-2-(cyanomethyl)-6-keto-4-methyl-cyclohexyl]propyl ester Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C(=O)C1)CCCOC(=O)C)CC#N

Isomeric SMILES

C[C@@H]1C[C@H]([C@H](C(=O)C1)CCCOC(=O)C)CC#N

InChI

InChI=1S/C14H21NO3/c1-10-8-12(5-6-15)13(14(17)9-10)4-3-7-18-11(2)16/h10,12-13H,3-5,7-9H2,1-2H3/t10-,12-,13-/m1/s1