5-cyclopentyl-4-[2-[2-(trifluoromethyloxy)phenyl]ethanoylamino]-1H-pyrazole-3-carboxylic acid

Systemtic Name: 5-cyclopentyl-4-[2-[2-(trifluoromethyloxy)phenyl]ethanoylamino]-1H-pyrazole-3-carboxylic acid Openeye Name: 5-cyclopentyl-4-[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]-1H-pyrazole-3-carboxylic acid CAS Name: 5-cyclopentyl-4-[[1-oxo-2-[2-(trifluoromethoxy)phenyl]ethyl]amino]-1H-pyrazole-3-carboxylic acid IUPAC Name: 5-cyclopentyl-4-[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]-1H-pyrazole-3-carboxylic acid Traditional Name: 5-cyclopentyl-4-[[2-[2-(trifluoromethoxy)phenyl]acetyl]amino]-1H-pyrazole-3-carboxylic acid Formula: C18H18F3N3O4 MolecularWeight: 397.34843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2=C(C(=NN2)C(=O)O)NC(=O)CC3=CC=CC=C3OC(F)(F)F

Isomeric SMILES

C1CCC(C1)C2=C(C(=NN2)C(=O)O)NC(=O)CC3=CC=CC=C3OC(F)(F)F

InChI

InChI=1S/C18H18F3N3O4/c19-18(20,21)28-12-8-4-3-7-11(12)9-13(25)22-15-14(10-5-1-2-6-10)23-24-16(15)17(26)27/h3-4,7-8,10H,1-2,5-6,9H2,(H,22,25)(H,23,24)(H,26,27)