sodium 4-[(2,6-dimethylphenyl)amino]butanoate

Systemtic Name: sodium 4-[(2,6-dimethylphenyl)amino]butanoate Openeye Name: sodium 4-(2,6-dimethylanilino)butanoate CAS Name: sodium 4-(2,6-dimethylanilino)butanoate IUPAC Name: sodium 4-(2,6-dimethylanilino)butanoate Traditional Name: sodium 4-(2,6-dimethylanilino)butyrate Formula: C12H16NNaO2 MolecularWeight: 229.25071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCCCC(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C12H17NO2.Na/c1-9-5-3-6-10(2)12(9)13-8-4-7-11(14)15;/h3,5-6,13H,4,7-8H2,1-2H3,(H,14,15);/q;+1/p-1