3-[(4-tert-butylphenyl)methyl-(phenylmethyl)amino]propanoic acid

Systemtic Name: 3-[(4-tert-butylphenyl)methyl-(phenylmethyl)amino]propanoic acid Openeye Name: 3-[benzyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-tert-butylphenyl)methyl-(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[benzyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[benzyl-(4-tert-butylbenzyl)amino]propionic acid Formula: C21H27NO2 MolecularWeight: 325.44458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CCC(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C21H27NO2/c1-21(2,3)19-11-9-18(10-12-19)16-22(14-13-20(23)24)15-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,23,24)