5-[5-cyano-3-(trifluoromethyl)pyridin-2-yl]oxy-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]benzoic acid

Systemtic Name: 5-[5-cyano-3-(trifluoromethyl)pyridin-2-yl]oxy-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]benzoic acid Openeye Name: 5-[[5-cyano-3-(trifluoromethyl)-2-pyridyl]oxy]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]benzoic acid CAS Name: 5-[[5-cyano-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]benzoic acid IUPAC Name: 5-[5-cyano-3-(trifluoromethyl)pyridin-2-yl]oxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid Traditional Name: 5-[[5-cyano-3-(trifluoromethyl)-2-pyridyl]oxy]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]benzoic acid Formula: C25H26F3N3O4 MolecularWeight: 489.48685

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C(C=C2)OC3=C(C=C(C=N3)C#N)C(F)(F)F)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C(C=C2)OC3=C(C=C(C=N3)C#N)C(F)(F)F)C(=O)O)C(C)C

InChI

InChI=1S/C25H26F3N3O4/c1-14(2)31(23(32)17-6-4-15(3)5-7-17)21-9-8-18(11-19(21)24(33)34)35-22-20(25(26,27)28)10-16(12-29)13-30-22/h8-11,13-15,17H,4-7H2,1-3H3,(H,33,34)