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

Systemtic Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]hept-6-enoic acid Openeye Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]hept-6-enoic acid CAS Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-6-heptenoic acid IUPAC Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]hept-6-enoic acid Traditional Name: 2-[5,7-dipropyl-3-(trifluoromethyl)indoxazen-6-yl]oxyhept-6-enoic 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)OC(CCCC=C)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OC(CCCC=C)C(=O)O

InChI

InChI=1S/C21H26F3NO4/c1-4-7-8-11-16(20(26)27)28-17-13(9-5-2)12-15-18(14(17)10-6-3)29-25-19(15)21(22,23)24/h4,12,16H,1,5-11H2,2-3H3,(H,26,27)