[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)COC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C

InChI

InChI=1S/C21H23ClN2O4/c1-14-5-3-4-6-17(14)12-23-20(26)13-28-21(27)11-19(24-15(2)25)16-7-9-18(22)10-8-16/h3-10,19H,11-13H2,1-2H3,(H,23,26)(H,24,25)