tert-butyl (2S)-2-cyano-2-[(Z)-3-oxidanylidene-3-phenyl-prop-1-enyl]hexanoate

Systemtic Name: tert-butyl (2S)-2-cyano-2-[(Z)-3-oxidanylidene-3-phenyl-prop-1-enyl]hexanoate Openeye Name: tert-butyl (2S)-2-cyano-2-[(Z)-3-oxo-3-phenyl-prop-1-enyl]hexanoate CAS Name: (2S)-2-cyano-2-[(Z)-3-oxo-3-phenylprop-1-enyl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-cyano-2-[(Z)-3-oxo-3-phenylprop-1-enyl]hexanoate Traditional Name: (Z,2S)-2-butyl-2-cyano-5-keto-5-phenyl-pent-3-enoic acid tert-butyl ester Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@](/C=C\C(=O)C1=CC=CC=C1)(C#N)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25NO3/c1-5-6-13-20(15-21,18(23)24-19(2,3)4)14-12-17(22)16-10-8-7-9-11-16/h7-12,14H,5-6,13H2,1-4H3/b14-12-/t20-/m0/s1