2-(propanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylamino]benzoic acid

Systemtic Name: 2-(propanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylamino]benzoic acid Openeye Name: 2-(propanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylamino]benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[[3-(trifluoromethyl)phenyl]methylamino]benzoic acid IUPAC Name: 2-(propanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylamino]benzoic acid Traditional Name: 2-propionamido-5-[[3-(trifluoromethyl)benzyl]amino]benzoic acid Formula: C18H17F3N2O3 MolecularWeight: 366.33439

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C=C1)NCC2=CC(=CC=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=C(C=C1)NCC2=CC(=CC=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C18H17F3N2O3/c1-2-16(24)23-15-7-6-13(9-14(15)17(25)26)22-10-11-4-3-5-12(8-11)18(19,20)21/h3-9,22H,2,10H2,1H3,(H,23,24)(H,25,26)