[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-13-5-4-6-14(2)21(13)24-19(26)12-28-20(27)11-18(23-15(3)25)16-7-9-17(22)10-8-16/h4-10,18H,11-12H2,1-3H3,(H,23,25)(H,24,26)