[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)CC(C2=CC=C(C=C2)Cl)NC(=O)C

InChI

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