[(4S)-4-cyano-5-methyl-4-phenyl-hexyl] ethanoate

Systemtic Name: [(4S)-4-cyano-5-methyl-4-phenyl-hexyl] ethanoate Openeye Name: [(4S)-4-cyano-5-methyl-4-phenyl-hexyl] acetate CAS Name: acetic acid [(4S)-4-cyano-5-methyl-4-phenylhexyl] ester IUPAC Name: [(4S)-4-cyano-5-methyl-4-phenylhexyl] acetate Traditional Name: acetic acid [(4S)-4-cyano-5-methyl-4-phenyl-hexyl] ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-13(2)16(12-17,10-7-11-19-14(3)18)15-8-5-4-6-9-15/h4-6,8-9,13H,7,10-11H2,1-3H3/t16-/m0/s1