3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[3-(trifluoromethyloxy)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[3-(trifluoromethyloxy)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-[3-(trifluoromethoxy)phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carboxylic acid Formula: C22H26F3N3O4 MolecularWeight: 453.45475

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC(=CC=C3)OC(F)(F)F)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC(=CC=C3)OC(F)(F)F)C(C)C

InChI

InChI=1S/C22H26F3N3O4/c1-13(2)28(20(29)15-9-7-14(3)8-10-15)19-18(21(30)31)12-27(26-19)16-5-4-6-17(11-16)32-22(23,24)25/h4-6,11-15H,7-10H2,1-3H3,(H,30,31)