4-[(2,3-dimethylphenyl)amino]butanoate

Systemtic Name: 4-[(2,3-dimethylphenyl)amino]butanoate Openeye Name: 4-(2,3-dimethylanilino)butanoate CAS Name: 4-(2,3-dimethylanilino)butanoate IUPAC Name: 4-(2,3-dimethylanilino)butanoate Traditional Name: 4-(2,3-dimethylanilino)butyrate Formula: C12H16NO2- MolecularWeight: 206.26094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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