ethyl 2-cyano-5-methyl-2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]hexanoate

Systemtic Name: ethyl 2-cyano-5-methyl-2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]hexanoate Openeye Name: ethyl 2-cyano-5-methyl-2-[(E)-3-oxo-3-phenyl-prop-1-enyl]hexanoate CAS Name: 2-cyano-5-methyl-2-[(E)-3-oxo-3-phenylprop-1-enyl]hexanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-methyl-2-[(E)-3-oxo-3-phenylprop-1-enyl]hexanoate Traditional Name: (E)-2-cyano-2-isoamyl-5-keto-5-phenyl-pent-3-enoic acid ethyl ester Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3/c1-4-23-18(22)19(14-20,12-10-15(2)3)13-11-17(21)16-8-6-5-7-9-16/h5-9,11,13,15H,4,10,12H2,1-3H3/b13-11+