methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]propanoate

Systemtic Name: methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]propanoate Openeye Name: methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]propanoate CAS Name: (2S)-2-[(3,4-dimethylphenyl)methylamino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,4-dimethylphenyl)methylamino]propanoate Traditional Name: (2S)-2-[(3,4-dimethylbenzyl)amino]propionic acid methyl ester Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(C)C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN[C@@H](C)C(=O)OC)C

InChI

InChI=1S/C13H19NO2/c1-9-5-6-12(7-10(9)2)8-14-11(3)13(15)16-4/h5-7,11,14H,8H2,1-4H3/t11-/m0/s1