[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-cyanobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic 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] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=CC=CC(=C2)C#N)C)C

InChI

InChI=1S/C20H19NO3/c1-12-8-14(3)18(9-13(12)2)19(22)15(4)24-20(23)17-7-5-6-16(10-17)11-21/h5-10,15H,1-4H3/t15-/m0/s1