3-[[4-[(4-bromophenyl)-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-bromophenyl)-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-bromophenyl)-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-bromophenyl)-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-bromophenyl)-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-bromophenyl)-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C25H21BrF3N3O5 MolecularWeight: 580.35055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(C2=CC=C(C=C2)Br)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F)C(=O)NCCC(=O)O

InChI

InChI=1S/C25H21BrF3N3O5/c26-18-7-5-16(6-8-18)22(15-1-3-17(4-2-15)23(35)30-14-13-21(33)34)32-24(36)31-19-9-11-20(12-10-19)37-25(27,28)29/h1-12,22H,13-14H2,(H,30,35)(H,33,34)(H2,31,32,36)