2-[(3,5-dimethylphenyl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(3,5-dimethylphenyl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(3,5-dimethylphenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(3,5-dimethylphenyl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(3,5-dimethylbenzyl)amino]-3-methyl-butyric acid Formula: C14H21NO2 MolecularWeight: 235.32204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(C(C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(C(C)C)C(=O)O)C

InChI

InChI=1S/C14H21NO2/c1-9(2)13(14(16)17)15-8-12-6-10(3)5-11(4)7-12/h5-7,9,13,15H,8H2,1-4H3,(H,16,17)