[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(C2=CC=C(C=C2)Cl)C(C)C

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)[C@H](C2=CC=C(C=C2)Cl)C(C)C

InChI

InChI=1S/C22H26ClNO3/c1-14(2)18-7-5-6-8-19(18)24-20(25)13-27-22(26)21(15(3)4)16-9-11-17(23)12-10-16/h5-12,14-15,21H,13H2,1-4H3,(H,24,25)/t21-/m0/s1