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

Systemtic Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-thiophen-3-yl-ethanoic acid Openeye Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(3-thienyl)acetic acid CAS Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-(3-thiophenyl)acetic acid IUPAC Name: 2-[[5,7-dipropyl-3-(trifluoromethyl)-1,2-benzoxazol-6-yl]oxy]-2-thiophen-3-ylacetic acid Traditional Name: 2-[5,7-dipropyl-3-(trifluoromethyl)indoxazen-6-yl]oxy-2-(3-thienyl)acetic acid Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OC(C3=CSC=C3)C(=O)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=NO2)C(F)(F)F)CCC)OC(C3=CSC=C3)C(=O)O

InChI

InChI=1S/C20H20F3NO4S/c1-3-5-11-9-14-17(28-24-18(14)20(21,22)23)13(6-4-2)15(11)27-16(19(25)26)12-7-8-29-10-12/h7-10,16H,3-6H2,1-2H3,(H,25,26)