[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(4-bromophenyl)carbonylamino]propanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 3-[(4-bromobenzoyl)amino]propanoate CAS Name: 3-[[(4-bromophenyl)-oxomethyl]amino]propanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 3-[(4-bromobenzoyl)amino]propanoate Traditional Name: 3-[(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)CCNC(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

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

InChI

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