[(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate

Systemtic Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-[(4-bromophenyl)carbonylamino]ethanoate Openeye Name: [(1S)-2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-[(4-bromobenzoyl)amino]acetate CAS Name: 2-[[(4-bromophenyl)-oxomethyl]amino]acetic acid [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate Traditional Name: 2-[(4-bromobenzoyl)amino]acetic acid [(1S)-2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)[C@H](C)OC(=O)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H20BrNO4/c1-12-4-5-13(2)17(10-12)19(24)14(3)26-18(23)11-22-20(25)15-6-8-16(21)9-7-15/h4-10,14H,11H2,1-3H3,(H,22,25)/t14-/m0/s1