[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-benzamidoethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-benzamidoethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)CNC(=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C21H23NO4/c1-13-10-15(3)18(11-14(13)2)20(24)16(4)26-19(23)12-22-21(25)17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,22,25)/t16-/m0/s1