[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(cyanomethyl)benzoate

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(cyanomethyl)benzoate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 2-(cyanomethyl)benzoate CAS Name: 2-(cyanomethyl)benzoic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-(cyanomethyl)benzoate Traditional Name: 2-(cyanomethyl)benzoic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=CC=CC=C2CC#N

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C2=CC=CC=C2CC#N

InChI

InChI=1S/C20H20N2O3/c1-3-22(17-10-5-4-6-11-17)19(23)15(2)25-20(24)18-12-8-7-9-16(18)13-14-21/h4-12,15H,3,13H2,1-2H3/t15-/m0/s1