4-[(3,5-dimethylphenyl)amino]butanoate

Systemtic Name: 4-[(3,5-dimethylphenyl)amino]butanoate Openeye Name: 4-(3,5-dimethylanilino)butanoate CAS Name: 4-(3,5-dimethylanilino)butanoate IUPAC Name: 4-(3,5-dimethylanilino)butanoate Traditional Name: 4-(3,5-dimethylanilino)butyrate Formula: C12H16NO2- MolecularWeight: 206.26094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO2/c1-9-6-10(2)8-11(7-9)13-5-3-4-12(14)15/h6-8,13H,3-5H2,1-2H3,(H,14,15)/p-1