3-methyl-5-(3-methylbutanoylamino)-2-oxidanyl-benzoate

Systemtic Name: 3-methyl-5-(3-methylbutanoylamino)-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-3-methyl-5-(3-methylbutanoylamino)benzoate CAS Name: 2-hydroxy-3-methyl-5-[(3-methyl-1-oxobutyl)amino]benzoate IUPAC Name: 2-hydroxy-3-methyl-5-(3-methylbutanoylamino)benzoate Traditional Name: 2-hydroxy-5-(isovalerylamino)-3-methyl-benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)NC(=O)CC(C)C)C(=O)[O-])O

Isomeric SMILES

CC1=C(C(=CC(=C1)NC(=O)CC(C)C)C(=O)[O-])O

InChI

InChI=1S/C13H17NO4/c1-7(2)4-11(15)14-9-5-8(3)12(16)10(6-9)13(17)18/h5-7,16H,4H2,1-3H3,(H,14,15)(H,17,18)/p-1