4-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)-1-pyrazolyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]benzoic acid Formula: C16H14F3N3O3 MolecularWeight: 353.29587

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2CC(=O)NC3=CC=C(C=C3)C(=O)O)C(F)(F)F

Isomeric SMILES

C1CC1C2=CC(=NN2CC(=O)NC3=CC=C(C=C3)C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3/c17-16(18,19)13-7-12(9-1-2-9)22(21-13)8-14(23)20-11-5-3-10(4-6-11)15(24)25/h3-7,9H,1-2,8H2,(H,20,23)(H,24,25)