5-[[4-bromanyl-2-(trifluoromethyl)phenyl]methoxy]-2-(cyclopropylcarbonylamino)benzoic acid

Systemtic Name: 5-[[4-bromanyl-2-(trifluoromethyl)phenyl]methoxy]-2-(cyclopropylcarbonylamino)benzoic acid Openeye Name: 5-[[4-bromo-2-(trifluoromethyl)phenyl]methoxy]-2-(cyclopropanecarbonylamino)benzoic acid CAS Name: 5-[[4-bromo-2-(trifluoromethyl)phenyl]methoxy]-2-[[cyclopropyl(oxo)methyl]amino]benzoic acid IUPAC Name: 5-[[4-bromo-2-(trifluoromethyl)phenyl]methoxy]-2-(cyclopropanecarbonylamino)benzoic acid Traditional Name: 5-[4-bromo-2-(trifluoromethyl)benzyl]oxy-2-(cyclopropanecarbonylamino)benzoic acid Formula: C19H15BrF3NO4 MolecularWeight: 458.22591

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=C(C=C(C=C2)OCC3=C(C=C(C=C3)Br)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=C(C=C(C=C2)OCC3=C(C=C(C=C3)Br)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H15BrF3NO4/c20-12-4-3-11(15(7-12)19(21,22)23)9-28-13-5-6-16(14(8-13)18(26)27)24-17(25)10-1-2-10/h3-8,10H,1-2,9H2,(H,24,25)(H,26,27)