2-[[3-[(2-bromophenyl)methyl]-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[3-[(2-bromophenyl)methyl]-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-[(2-bromophenyl)methyl]-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[3-[(2-bromophenyl)methyl]-2-butyl-4-imidazolyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-[(2-bromophenyl)methyl]-2-butylimidazol-4-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[3-(2-bromobenzyl)-2-butyl-imidazol-4-yl]methylamino]-3-phenyl-propionic acid Formula: C24H28BrN3O2 MolecularWeight: 470.40202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=CC=C2Br)CNC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=CC=C2Br)CNC(CC3=CC=CC=C3)C(=O)O

InChI

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