(3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-(3,4-dichlorophenyl)propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-(3,4-dichlorophenyl)propanoate Openeye Name: (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-(3,4-dichlorophenyl)propanoate CAS Name: (2S)-2-acetamido-3-(3,4-dichlorophenyl)propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl (2S)-2-acetamido-3-(3,4-dichlorophenyl)propanoate Traditional Name: (2S)-2-acetamido-3-(3,4-dichlorophenyl)propionic acid (3,5-dimethylbenzyl) ester Formula: C20H21Cl2NO3 MolecularWeight: 394.29164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)[C@H](CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C)C

InChI

InChI=1S/C20H21Cl2NO3/c1-12-6-13(2)8-16(7-12)11-26-20(25)19(23-14(3)24)10-15-4-5-17(21)18(22)9-15/h4-9,19H,10-11H2,1-3H3,(H,23,24)/t19-/m0/s1