4-(2,2-dimethylbutanoylamino)benzoic acid

Systemtic Name: 4-(2,2-dimethylbutanoylamino)benzoic acid Openeye Name: 4-(2,2-dimethylbutanoylamino)benzoic acid CAS Name: 4-[(2,2-dimethyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-(2,2-dimethylbutanoylamino)benzoic acid Traditional Name: 4-(2,2-dimethylbutanoylamino)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C)(C)C(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H17NO3/c1-4-13(2,3)12(17)14-10-7-5-9(6-8-10)11(15)16/h5-8H,4H2,1-3H3,(H,14,17)(H,15,16)