sodium (2R)-3-(4-azanyl-3,5-dimethyl-phenyl)-2-oxidanyl-propanoate

Systemtic Name: sodium (2R)-3-(4-azanyl-3,5-dimethyl-phenyl)-2-oxidanyl-propanoate Openeye Name: sodium (2R)-3-(4-amino-3,5-dimethyl-phenyl)-2-hydroxy-propanoate CAS Name: sodium (2R)-3-(4-amino-3,5-dimethylphenyl)-2-hydroxypropanoate IUPAC Name: sodium (2R)-3-(4-amino-3,5-dimethylphenyl)-2-hydroxypropanoate Traditional Name: sodium (2R)-3-(4-amino-3,5-dimethyl-phenyl)-2-hydroxy-propionate Formula: C11H14NNaO3 MolecularWeight: 231.22353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1N)C)CC(C(=O)[O-])O.[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1N)C)C[C@H](C(=O)[O-])O.[Na+]

InChI

InChI=1S/C11H15NO3.Na/c1-6-3-8(4-7(2)10(6)12)5-9(13)11(14)15;/h3-4,9,13H,5,12H2,1-2H3,(H,14,15);/q;+1/p-1/t9-;/m1./s1