2-[[2-butyl-3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-butyl-3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-butyl-3-[(2-chloro-6-fluoro-phenyl)methyl]imidazol-4-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]-4-imidazolyl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-butyl-3-[(2-chloro-6-fluorophenyl)methyl]imidazol-4-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[2-butyl-3-(2-chloro-6-fluoro-benzyl)imidazol-4-yl]methylamino]-3-phenyl-propionic acid Formula: C24H27ClFN3O2 MolecularWeight: 443.941483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=C(C=CC=C2Cl)F)CNC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1CC2=C(C=CC=C2Cl)F)CNC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H27ClFN3O2/c1-2-3-12-23-28-15-18(29(23)16-19-20(25)10-7-11-21(19)26)14-27-22(24(30)31)13-17-8-5-4-6-9-17/h4-11,15,22,27H,2-3,12-14,16H2,1H3,(H,30,31)