[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(2-cyanophenoxy)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(2-cyanophenoxy)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2-cyanophenoxy)acetate CAS Name: 2-(2-cyanophenoxy)acetic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-(2-cyanophenoxy)acetate Traditional Name: 2-(2-cyanophenoxy)acetic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)COC2=CC=CC=C2C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)COC2=CC=CC=C2C#N)C)C

InChI

InChI=1S/C21H21NO4/c1-13-9-15(3)18(10-14(13)2)21(24)16(4)26-20(23)12-25-19-8-6-5-7-17(19)11-22/h5-10,16H,12H2,1-4H3/t16-/m0/s1