2-[[6-tert-butyl-3-(3-chloranyl-4-fluoranyl-phenyl)-2-phenylmethoxy-phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[6-tert-butyl-3-(3-chloranyl-4-fluoranyl-phenyl)-2-phenylmethoxy-phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[2-benzyloxy-6-tert-butyl-3-(3-chloro-4-fluoro-phenyl)benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[6-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-phenylmethoxyphenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[6-tert-butyl-3-(3-chloro-4-fluorophenyl)-2-phenylmethoxybenzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-benzoxy-6-tert-butyl-3-(3-chloro-4-fluoro-phenyl)benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C39H35ClFNO4 MolecularWeight: 636.150903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C=C1)C2=CC(=C(C=C2)F)Cl)OCC3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C=C1)C2=CC(=C(C=C2)F)Cl)OCC3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C39H35ClFNO4/c1-39(2,3)31-20-19-30(29-18-21-33(41)32(40)23-29)36(46-24-26-10-6-4-7-11-26)35(31)37(43)42-34(38(44)45)22-25-14-16-28(17-15-25)27-12-8-5-9-13-27/h4-21,23,34H,22,24H2,1-3H3,(H,42,43)(H,44,45)