3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid CAS Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methyl-[(4-tert-butylphenyl)methyl]amino]propanoic acid Traditional Name: 3-[(3-bromo-4-methoxy-benzyl)-(4-tert-butylbenzyl)amino]propionic acid Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO3/c1-22(2,3)18-8-5-16(6-9-18)14-24(12-11-21(25)26)15-17-7-10-20(27-4)19(23)13-17/h5-10,13H,11-12,14-15H2,1-4H3,(H,25,26)