[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]propionic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C(C)NC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)[C@H](C)NC(=O)C2=CC=C(C=C2)Br)C

InChI

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