3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylamino]propanoic acid

Systemtic Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylamino]propanoic acid Openeye Name: 3-[(4-tert-butyl-2,6-dimethyl-phenyl)methylamino]propanoic acid CAS Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propanoic acid IUPAC Name: 3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propanoic acid Traditional Name: 3-[(4-tert-butyl-2,6-dimethyl-benzyl)amino]propionic acid Formula: C16H25NO2 MolecularWeight: 263.3752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CNCCC(=O)O)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CNCCC(=O)O)C)C(C)(C)C

InChI

InChI=1S/C16H25NO2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-17-7-6-15(18)19/h8-9,17H,6-7,10H2,1-5H3,(H,18,19)