(2S)-2-[(2-ethyl-4,6-dimethyl-phenyl)amino]propanoic acid

Systemtic Name: (2S)-2-[(2-ethyl-4,6-dimethyl-phenyl)amino]propanoic acid Openeye Name: (2S)-2-(2-ethyl-4,6-dimethyl-anilino)propanoic acid CAS Name: (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid IUPAC Name: (2S)-2-(2-ethyl-4,6-dimethylanilino)propanoic acid Traditional Name: (2S)-2-(2-ethyl-4,6-dimethyl-anilino)propionic acid Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(C)C(=O)O)C)C

Isomeric SMILES

CCC1=CC(=CC(=C1N[C@@H](C)C(=O)O)C)C

InChI

InChI=1S/C13H19NO2/c1-5-11-7-8(2)6-9(3)12(11)14-10(4)13(15)16/h6-7,10,14H,5H2,1-4H3,(H,15,16)/t10-/m0/s1