(3,5-dimethylphenyl)methyl (2S)-2-benzamido-3-methyl-butanoate

Systemtic Name: (3,5-dimethylphenyl)methyl (2S)-2-benzamido-3-methyl-butanoate Openeye Name: (3,5-dimethylphenyl)methyl (2S)-2-benzamido-3-methyl-butanoate CAS Name: (2S)-2-benzamido-3-methylbutanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl (2S)-2-benzamido-3-methylbutanoate Traditional Name: (2S)-2-benzamido-3-methyl-butyric acid (3,5-dimethylbenzyl) ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-14(2)19(22-20(23)18-8-6-5-7-9-18)21(24)25-13-17-11-15(3)10-16(4)12-17/h5-12,14,19H,13H2,1-4H3,(H,22,23)/t19-/m0/s1