[(2S,4R)-4-cyano-5-methyl-4-phenyl-hexan-2-yl] ethanoate

Systemtic Name: [(2S,4R)-4-cyano-5-methyl-4-phenyl-hexan-2-yl] ethanoate Openeye Name: [(1S,3R)-3-cyano-1,4-dimethyl-3-phenyl-pentyl] acetate CAS Name: acetic acid [(2S,4R)-4-cyano-5-methyl-4-phenylhexan-2-yl] ester IUPAC Name: [(2S,4R)-4-cyano-5-methyl-4-phenylhexan-2-yl] acetate Traditional Name: acetic acid [(1S,3R)-3-cyano-1,4-dimethyl-3-phenyl-pentyl] ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C)OC(=O)C)(C#N)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-12(2)16(11-17,10-13(3)19-14(4)18)15-8-6-5-7-9-15/h5-9,12-13H,10H2,1-4H3/t13-,16+/m0/s1