methyl (2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoate hydrochloride

Systemtic Name: methyl (2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoate hydrochloride Openeye Name: methyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoate hydrochloride CAS Name: (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid methyl ester hydrochloride IUPAC Name: methyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate hydrochloride Traditional Name: (2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propionic acid methyl ester hydrochloride Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)OC)N)C)O.Cl

Isomeric SMILES

CC1=CC(=CC(=C1C[C@@H](C(=O)OC)N)C)O.Cl

InChI

InChI=1S/C12H17NO3.ClH/c1-7-4-9(14)5-8(2)10(7)6-11(13)12(15)16-3;/h4-5,11,14H,6,13H2,1-3H3;1H/t11-;/m0./s1