ethyl 6-cyano-6-(2,5-dimethylphenyl)-3,3-dimethyl-5-oxidanylidene-hexanoate

Systemtic Name: ethyl 6-cyano-6-(2,5-dimethylphenyl)-3,3-dimethyl-5-oxidanylidene-hexanoate Openeye Name: ethyl 6-cyano-6-(2,5-dimethylphenyl)-3,3-dimethyl-5-oxo-hexanoate CAS Name: 6-cyano-6-(2,5-dimethylphenyl)-3,3-dimethyl-5-oxohexanoic acid ethyl ester IUPAC Name: ethyl 6-cyano-6-(2,5-dimethylphenyl)-3,3-dimethyl-5-oxohexanoate Traditional Name: 6-cyano-6-(2,5-dimethylphenyl)-5-keto-3,3-dimethyl-hexanoic acid ethyl ester Formula: C19H25NO3 MolecularWeight: 315.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO3/c1-6-23-18(22)11-19(4,5)10-17(21)16(12-20)15-9-13(2)7-8-14(15)3/h7-9,16H,6,10-11H2,1-5H3