2-[[2-[(4-tert-butylphenyl)carbonylamino]-4-[4-(trifluoromethyl)phenoxy]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid

Systemtic Name: 2-[[2-[(4-tert-butylphenyl)carbonylamino]-4-[4-(trifluoromethyl)phenoxy]phenyl]carbonylamino]-3-(4-phenylphenyl)propanoic acid Openeye Name: 2-[[2-[(4-tert-butylbenzoyl)amino]-4-[4-(trifluoromethyl)phenoxy]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid CAS Name: 2-[[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-4-[4-(trifluoromethyl)phenoxy]phenyl]-oxomethyl]amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: 2-[[2-[(4-tert-butylbenzoyl)amino]-4-[4-(trifluoromethyl)phenoxy]benzoyl]amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: 2-[[2-[(4-tert-butylbenzoyl)amino]-4-[4-(trifluoromethyl)phenoxy]benzoyl]amino]-3-(4-phenylphenyl)propionic acid Formula: C40H35F3N2O5 MolecularWeight: 680.71151

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC3=CC=C(C=C3)C(F)(F)F)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)OC3=CC=C(C=C3)C(F)(F)F)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C40H35F3N2O5/c1-39(2,3)29-15-13-28(14-16-29)36(46)44-34-24-32(50-31-19-17-30(18-20-31)40(41,42)43)21-22-33(34)37(47)45-35(38(48)49)23-25-9-11-27(12-10-25)26-7-5-4-6-8-26/h4-22,24,35H,23H2,1-3H3,(H,44,46)(H,45,47)(H,48,49)