[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H19NO4/c1-13-4-8-17(9-5-13)19(22)14(2)25-20(23)15(3)24-18-10-6-16(12-21)7-11-18/h4-11,14-15H,1-3H3/t14-,15-/m0/s1