[(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-yl-cyclohexyl] ethanoate
[CAS# 131447-90-0]

Identification

• Name: [(1R,2S,3S,4S)-3-cyano-1-methyl-2-(3-oxobutyl)-4-propan-2-yl-cyclohexyl] ethanoate
• Synonyms: [(1R,2S,3S,4S)-3-Cyano-4-Isopropyl-1-Methyl-2-(3-Oxobutyl)Cyclohexyl] Acetate; Acetic Acid [(1R,2S,3S,4S)-3-Cyano-4-Isopropyl-1-Methyl-2-(3-Oxobutyl)Cyclohexyl] Ester; Acetic Acid [(1R,2S,3S,4S)-3-Cyano-4-Isopropyl-2-(3-Ketobutyl)-1-Methyl-Cyclohexyl] Ester
• Molecular Formula: C₁₇H₂₇NO₃
• Molecular Weight: 293.41
• CAS Registry Number: 131447-90-0
• SMILES: [C@]1([C@H]([C@H]([C@@H](CC1)C(C)C)C#N)CCC(=O)C)(OC(=O)C)C
• InChI: 1S/C17H27NO3/c1-11(2)14-8-9-17(5,21-13(4)20)16(15(14)10-18)7-6-12(3)19/h11,14-16H,6-9H2,1-5H3/t14-,15-,16-,17+/m0/s1
• InChIKey: OETYWDPXRCDDQP-LUKYLMHMSA-N