3-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzoic acid

Systemtic Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzoic acid Openeye Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzoic acid CAS Name: 3-[4-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]phenoxy]benzoic acid IUPAC Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzoic acid Traditional Name: 3-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]benzoic acid Formula: C21H15F3N2O4 MolecularWeight: 416.35001

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C21H15F3N2O4/c22-21(23,24)14-4-6-15(7-5-14)25-20(29)26-16-8-10-17(11-9-16)30-18-3-1-2-13(12-18)19(27)28/h1-12H,(H,27,28)(H2,25,26,29)