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5-[3,5-bis(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid

5-[3,5-bis(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid

Systemtic Name:5-[3,5-bis(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid
Openeye Name:5-[3,5-bis(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid
CAS Name:5-[3,5-bis(trifluoromethyl)phenoxy]-2-(1-oxopropylamino)benzoic acid
IUPAC Name:5-[3,5-bis(trifluoromethyl)phenoxy]-2-(propanoylamino)benzoic acid
Traditional Name:5-[3,5-bis(trifluoromethyl)phenoxy]-2-propionamido-benzoic acid
Formula: C18H13F6NO4
MolecularWeight: 421.290539
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O


Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)OC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O


InChI

InChI=1S/C18H13F6NO4/c1-2-15(26)25-14-4-3-11(8-13(14)16(27)28)29-12-6-9(17(19,20)21)5-10(7-12)18(22,23)24/h3-8H,2H2,1H3,(H,25,26)(H,27,28)


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