4-[(2,2-dimethylpropanoylamino)methyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NCC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)NCC1=CC=C(C=C1)C(=O)O

InChI

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