2-[[2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoranyl-imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoranyl-imidazol-4-yl]-ethanoyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[acetyl-[2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoro-imidazol-4-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[acetyl-[2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoro-4-imidazolyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[acetyl-[2-butyl-3-[(2-chlorophenyl)methyl]-5-fluoroimidazol-4-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[acetyl-[2-butyl-3-(2-chlorobenzyl)-5-fluoro-imidazol-4-yl]amino]-3-phenyl-propionic acid Formula: C25H27ClFN3O3 MolecularWeight: 471.951583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClFN3O3/c1-3-4-14-22-28-23(27)24(29(22)16-19-12-8-9-13-20(19)26)30(17(2)31)21(25(32)33)15-18-10-6-5-7-11-18/h5-13,21H,3-4,14-16H2,1-2H3,(H,32,33)