ethyl 5-cyano-4-oxidanylidene-5-(2,4,6-trimethylphenyl)pentanoate

Systemtic Name: ethyl 5-cyano-4-oxidanylidene-5-(2,4,6-trimethylphenyl)pentanoate Openeye Name: ethyl 5-cyano-4-oxo-5-(2,4,6-trimethylphenyl)pentanoate CAS Name: 5-cyano-4-oxo-5-(2,4,6-trimethylphenyl)pentanoic acid ethyl ester IUPAC Name: ethyl 5-cyano-4-oxo-5-(2,4,6-trimethylphenyl)pentanoate Traditional Name: 5-cyano-4-keto-5-mesityl-valeric acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)C(C#N)C1=C(C=C(C=C1C)C)C

Isomeric SMILES

CCOC(=O)CCC(=O)C(C#N)C1=C(C=C(C=C1C)C)C

InChI

InChI=1S/C17H21NO3/c1-5-21-16(20)7-6-15(19)14(10-18)17-12(3)8-11(2)9-13(17)4/h8-9,14H,5-7H2,1-4H3