4-(2-methylbutan-2-ylcarbamoyl)benzoic acid

Systemtic Name: 4-(2-methylbutan-2-ylcarbamoyl)benzoic acid Openeye Name: 4-(1,1-dimethylpropylcarbamoyl)benzoic acid CAS Name: 4-[(2-methylbutan-2-ylamino)-oxomethyl]benzoic acid IUPAC Name: 4-(2-methylbutan-2-ylcarbamoyl)benzoic acid Traditional Name: 4-(tert-amylcarbamoyl)benzoic acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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