[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-cyanophenoxy)ethanoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H19NO4 MolecularWeight: 337.36916

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)COC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H19NO4/c1-3-15-4-8-17(9-5-15)20(23)14(2)25-19(22)13-24-18-10-6-16(12-21)7-11-18/h4-11,14H,3,13H2,1-2H3/t14-/m0/s1