ethyl 6-cyano-6-(2,4-dimethylphenyl)-3,3-dimethyl-hexanoate

Systemtic Name: ethyl 6-cyano-6-(2,4-dimethylphenyl)-3,3-dimethyl-hexanoate Openeye Name: ethyl 6-cyano-6-(2,4-dimethylphenyl)-3,3-dimethyl-hexanoate CAS Name: 6-cyano-6-(2,4-dimethylphenyl)-3,3-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-cyano-6-(2,4-dimethylphenyl)-3,3-dimethylhexanoate Traditional Name: 6-cyano-6-(2,4-dimethylphenyl)-3,3-dimethyl-hexanoic acid ethyl ester Formula: C19H27NO2 MolecularWeight: 301.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO2/c1-6-22-18(21)12-19(4,5)10-9-16(13-20)17-8-7-14(2)11-15(17)3/h7-8,11,16H,6,9-10,12H2,1-5H3