1-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]cyclohexane-1-carboxylic acid Openeye Name: 1-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]cyclohexanecarboxylic acid CAS Name: 1-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]cyclohexane-1-carboxylic acid Traditional Name: 1-[5,7-dipropyl-3-(trifluoromethyl)indoxazen-6-yl]oxycyclohexanecarboxylic acid Formula: C21H26F3NO4 MolecularWeight: 413.43065

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OC3(CCCCC3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OC3(CCCCC3)C(=O)O

InChI

InChI=1S/C21H26F3NO4/c1-3-8-13-12-15-17(29-25-18(15)21(22,23)24)14(9-4-2)16(13)28-20(19(26)27)10-6-5-7-11-20/h12H,3-11H2,1-2H3,(H,26,27)