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

Systemtic Name: 3-[[4-[(4-propan-2-ylphenyl)-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-isopropylphenyl)-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[4-[[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]-(4-propan-2-ylphenyl)methyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-propan-2-ylphenyl)-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[p-cumenyl-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C28H28F3N3O5 MolecularWeight: 543.53423

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28F3N3O5/c1-17(2)18-3-5-19(6-4-18)25(20-7-9-21(10-8-20)26(37)32-16-15-24(35)36)34-27(38)33-22-11-13-23(14-12-22)39-28(29,30)31/h3-14,17,25H,15-16H2,1-2H3,(H,32,37)(H,35,36)(H2,33,34,38)