5-azanyl-3-[(2S)-butan-2-yl]-2-oxidanyl-benzoate

Systemtic Name: 5-azanyl-3-[(2S)-butan-2-yl]-2-oxidanyl-benzoate Openeye Name: 5-amino-2-hydroxy-3-[(1S)-1-methylpropyl]benzoate CAS Name: 5-amino-3-[(2S)-butan-2-yl]-2-hydroxybenzoate IUPAC Name: 5-amino-3-[(2S)-butan-2-yl]-2-hydroxybenzoate Traditional Name: 5-amino-2-hydroxy-3-[(1S)-1-methylpropyl]benzoate Formula: C11H14NO3- MolecularWeight: 208.23376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C(=CC(=C1)N)C(=O)[O-])O

Isomeric SMILES

CC[C@H](C)C1=C(C(=CC(=C1)N)C(=O)[O-])O

InChI

InChI=1S/C11H15NO3/c1-3-6(2)8-4-7(12)5-9(10(8)13)11(14)15/h4-6,13H,3,12H2,1-2H3,(H,14,15)/p-1/t6-/m0/s1