5-[[2-bromanyl-4-(trifluoromethyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid

Systemtic Name: 5-[[2-bromanyl-4-(trifluoromethyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid Openeye Name: 5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid CAS Name: 5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-(1-oxopropylamino)benzoic acid IUPAC Name: 5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-(propanoylamino)benzoic acid Traditional Name: 5-[[2-bromo-4-(trifluoromethyl)phenoxy]methyl]-2-propionamido-benzoic acid Formula: C18H15BrF3NO4 MolecularWeight: 446.21521

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)Br)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)COC2=C(C=C(C=C2)C(F)(F)F)Br)C(=O)O

InChI

InChI=1S/C18H15BrF3NO4/c1-2-16(24)23-14-5-3-10(7-12(14)17(25)26)9-27-15-6-4-11(8-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3,(H,23,24)(H,25,26)