ethyl (3S,5S)-5-cyano-3-phenyl-hexanoate

Systemtic Name: ethyl (3S,5S)-5-cyano-3-phenyl-hexanoate Openeye Name: ethyl (3S,5S)-5-cyano-3-phenyl-hexanoate CAS Name: (3S,5S)-5-cyano-3-phenylhexanoic acid ethyl ester IUPAC Name: ethyl (3S,5S)-5-cyano-3-phenylhexanoate Traditional Name: (3S,5S)-5-cyano-3-phenyl-hexanoic acid ethyl ester Formula: C15H19NO2 MolecularWeight: 245.31686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2/c1-3-18-15(17)10-14(9-12(2)11-16)13-7-5-4-6-8-13/h4-8,12,14H,3,9-10H2,1-2H3/t12-,14-/m0/s1