2-[(3,5-dimethylphenyl)amino]pentanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)amino]pentanoic acid Openeye Name: 2-(3,5-dimethylanilino)pentanoic acid CAS Name: 2-(3,5-dimethylanilino)pentanoic acid IUPAC Name: 2-(3,5-dimethylanilino)pentanoic acid Traditional Name: 2-(3,5-dimethylanilino)valeric acid Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC1=CC(=CC(=C1)C)C

Isomeric SMILES

CCCC(C(=O)O)NC1=CC(=CC(=C1)C)C

InChI

InChI=1S/C13H19NO2/c1-4-5-12(13(15)16)14-11-7-9(2)6-10(3)8-11/h6-8,12,14H,4-5H2,1-3H3,(H,15,16)