3-[[4-[2-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]ethyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[2-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]ethyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[2-(4-isopropylphenyl)-1-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[1-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]-2-(4-propan-2-ylphenyl)ethyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[2-(4-propan-2-ylphenyl)-1-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[2-p-cumenyl-1-[[4-(trifluoromethoxy)phenyl]carbamoylamino]ethyl]benzoyl]amino]propionic acid Formula: C29H30F3N3O5 MolecularWeight: 557.56081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C29H30F3N3O5/c1-18(2)20-5-3-19(4-6-20)17-25(21-7-9-22(10-8-21)27(38)33-16-15-26(36)37)35-28(39)34-23-11-13-24(14-12-23)40-29(30,31)32/h3-14,18,25H,15-17H2,1-2H3,(H,33,38)(H,36,37)(H2,34,35,39)