(2,3,6-trimethylphenyl) (3S)-3-acetamido-3-(4-methylphenyl)propanoate

Systemtic Name: (2,3,6-trimethylphenyl) (3S)-3-acetamido-3-(4-methylphenyl)propanoate Openeye Name: (2,3,6-trimethylphenyl) (3S)-3-acetamido-3-(p-tolyl)propanoate CAS Name: (3S)-3-acetamido-3-(4-methylphenyl)propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) (3S)-3-acetamido-3-(4-methylphenyl)propanoate Traditional Name: (3S)-3-acetamido-3-(p-tolyl)propionic acid (2,3,6-trimethylphenyl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC2=C(C=CC(=C2C)C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)OC2=C(C=CC(=C2C)C)C)NC(=O)C

InChI

InChI=1S/C21H25NO3/c1-13-6-10-18(11-7-13)19(22-17(5)23)12-20(24)25-21-15(3)9-8-14(2)16(21)4/h6-11,19H,12H2,1-5H3,(H,22,23)/t19-/m0/s1