[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H24ClNO4 MolecularWeight: 401.88326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C)C)C

InChI

InChI=1S/C22H24ClNO4/c1-13-9-15(3)19(10-14(13)2)21(26)12-28-22(27)11-20(24-16(4)25)17-5-7-18(23)8-6-17/h5-10,20H,11-12H2,1-4H3,(H,24,25)