[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-(2-cyanophenyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N

Isomeric SMILES

CCCNC(=O)[C@H](C)OC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N

InChI

InChI=1S/C20H20N2O3/c1-3-12-22-19(23)14(2)25-20(24)18-11-7-6-10-17(18)16-9-5-4-8-15(16)13-21/h4-11,14H,3,12H2,1-2H3,(H,22,23)/t14-/m0/s1