4-[[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-[5-methyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]methyl]benzoic acid Formula: C16H16F3N3O3 MolecularWeight: 355.31175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)NCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC(=NN1CCC(=O)NCC2=CC=C(C=C2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O3/c1-10-8-13(16(17,18)19)21-22(10)7-6-14(23)20-9-11-2-4-12(5-3-11)15(24)25/h2-5,8H,6-7,9H2,1H3,(H,20,23)(H,24,25)