3-[3-[(2-bromophenyl)methyl]-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid

Systemtic Name: 3-[3-[(2-bromophenyl)methyl]-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Openeye Name: 3-[3-[(2-bromophenyl)methyl]-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid CAS Name: 3-[3-[(2-bromophenyl)methyl]-2-butylphenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid IUPAC Name: 3-[3-[(2-bromophenyl)methyl]-2-butylphenyl]-2-(1H-imidazol-5-ylmethylamino)propanoic acid Traditional Name: 3-[3-(2-bromobenzyl)-2-butyl-phenyl]-2-(1H-imidazol-5-ylmethylamino)propionic acid Formula: C24H28BrN3O2 MolecularWeight: 470.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CC3=CC=CC=C3Br

Isomeric SMILES

CCCCC1=C(C=CC=C1CC(C(=O)O)NCC2=CN=CN2)CC3=CC=CC=C3Br

InChI

InChI=1S/C24H28BrN3O2/c1-2-3-10-21-17(12-19-7-4-5-11-22(19)25)8-6-9-18(21)13-23(24(29)30)27-15-20-14-26-16-28-20/h4-9,11,14,16,23,27H,2-3,10,12-13,15H2,1H3,(H,26,28)(H,29,30)