ethyl 3-[(1S,2S)-2-cyano-5-oxidanylidene-1-phenyl-cyclohexyl]propanoate

Systemtic Name: ethyl 3-[(1S,2S)-2-cyano-5-oxidanylidene-1-phenyl-cyclohexyl]propanoate Openeye Name: ethyl 3-[(1S,2S)-2-cyano-5-oxo-1-phenyl-cyclohexyl]propanoate CAS Name: 3-[(1S,2S)-2-cyano-5-oxo-1-phenylcyclohexyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(1S,2S)-2-cyano-5-oxo-1-phenylcyclohexyl]propanoate Traditional Name: 3-[(1S,2S)-2-cyano-5-keto-1-phenyl-cyclohexyl]propionic acid ethyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1(CC(=O)CCC1C#N)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC[C@@]1(CC(=O)CC[C@@H]1C#N)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO3/c1-2-22-17(21)10-11-18(14-6-4-3-5-7-14)12-16(20)9-8-15(18)13-19/h3-7,15H,2,8-12H2,1H3/t15-,18-/m1/s1