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

Systemtic Name: 3-[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid CAS Name: 3-[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(4-bromobenzyl)-(4-tert-butylbenzyl)amino]propionic acid Formula: C21H26BrNO2 MolecularWeight: 404.34064

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=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrNO2/c1-21(2,3)18-8-4-16(5-9-18)14-23(13-12-20(24)25)15-17-6-10-19(22)11-7-17/h4-11H,12-15H2,1-3H3,(H,24,25)