[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-(4-cyanophenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 3-(4-cyanophenyl)propanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(4-cyanophenyl)propanoate CAS Name: 3-(4-cyanophenyl)propanoic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 3-(4-cyanophenyl)propanoate Traditional Name: 3-(4-cyanophenyl)propionic acid (2-keto-2-mesityl-ethyl) ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CCC2=CC=C(C=C2)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)CCC2=CC=C(C=C2)C#N)C

InChI

InChI=1S/C21H21NO3/c1-14-10-15(2)21(16(3)11-14)19(23)13-25-20(24)9-8-17-4-6-18(12-22)7-5-17/h4-7,10-11H,8-9,13H2,1-3H3