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

Systemtic Name: 3-methyl-2-oxidanyl-5-(pentanoylamino)benzoate Openeye Name: 2-hydroxy-3-methyl-5-(pentanoylamino)benzoate CAS Name: 2-hydroxy-3-methyl-5-(1-oxopentylamino)benzoate IUPAC Name: 2-hydroxy-3-methyl-5-(pentanoylamino)benzoate Traditional Name: 2-hydroxy-3-methyl-5-(valerylamino)benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=C(C(=C1)C(=O)[O-])O)C

Isomeric SMILES

CCCCC(=O)NC1=CC(=C(C(=C1)C(=O)[O-])O)C

InChI

InChI=1S/C13H17NO4/c1-3-4-5-11(15)14-9-6-8(2)12(16)10(7-9)13(17)18/h6-7,16H,3-5H2,1-2H3,(H,14,15)(H,17,18)/p-1