(3,5-dimethylphenyl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (3,5-dimethylphenyl)methyl (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (3,5-dimethylphenyl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid (3,5-dimethylbenzyl) ester Formula: C22H27NO3 MolecularWeight: 353.45468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC(=CC(=C2)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C22H27NO3/c1-14(2)20(23-21(24)19-8-6-7-15(3)12-19)22(25)26-13-18-10-16(4)9-17(5)11-18/h6-12,14,20H,13H2,1-5H3,(H,23,24)/t20-/m0/s1