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

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21NO4/c1-4-16-5-9-18(10-6-16)20(23)14(2)26-21(24)15(3)25-19-11-7-17(13-22)8-12-19/h5-12,14-15H,4H2,1-3H3/t14-,15-/m0/s1