4-(3,3-dimethylbutanoylamino)benzoic acid

Systemtic Name: 4-(3,3-dimethylbutanoylamino)benzoic acid Openeye Name: 4-(3,3-dimethylbutanoylamino)benzoic acid CAS Name: 4-[(3,3-dimethyl-1-oxobutyl)amino]benzoic acid IUPAC Name: 4-(3,3-dimethylbutanoylamino)benzoic acid Traditional Name: 4-(3,3-dimethylbutanoylamino)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3/c1-13(2,3)8-11(15)14-10-6-4-9(5-7-10)12(16)17/h4-7H,8H2,1-3H3,(H,14,15)(H,16,17)