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

Systemtic Name: 5-[5-iodanyl-3-(trifluoromethyl)pyridin-2-yl]oxy-2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]benzoic acid Openeye Name: 5-[[5-iodo-3-(trifluoromethyl)-2-pyridyl]oxy]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]benzoic acid CAS Name: 5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]benzoic acid IUPAC Name: 5-[5-iodo-3-(trifluoromethyl)pyridin-2-yl]oxy-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoic acid Traditional Name: 5-[[5-iodo-3-(trifluoromethyl)-2-pyridyl]oxy]-2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]benzoic acid Formula: C24H26F3IN2O4 MolecularWeight: 590.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C(C=C2)OC3=NC=C(C=C3C(F)(F)F)I)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C(C=C2)OC3=NC=C(C=C3C(F)(F)F)I)C(=O)O)C(C)C

InChI

InChI=1S/C24H26F3IN2O4/c1-13(2)30(22(31)15-6-4-14(3)5-7-15)20-9-8-17(11-18(20)23(32)33)34-21-19(24(25,26)27)10-16(28)12-29-21/h8-15H,4-7H2,1-3H3,(H,32,33)