[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(4-bromobenzoyl)amino]propionic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrNO4/c1-13-3-5-15(6-4-13)19(24)14(2)26-18(23)11-12-22-20(25)16-7-9-17(21)10-8-16/h3-10,14H,11-12H2,1-2H3,(H,22,25)/t14-/m0/s1