3-[5-tert-butyl-2-methyl-4-oxidanyl-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid

Systemtic Name: 3-[5-tert-butyl-2-methyl-4-oxidanyl-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[5-tert-butyl-4-hydroxy-2-methyl-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid CAS Name: 3-[5-tert-butyl-4-hydroxy-2-methyl-3-[5-(trifluoromethyl)-2-benzotriazolyl]phenyl]propanoic acid IUPAC Name: 3-[5-tert-butyl-4-hydroxy-2-methyl-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[5-tert-butyl-4-hydroxy-2-methyl-3-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propionic acid Formula: C21H22F3N3O3 MolecularWeight: 421.41289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1CCC(=O)O)C(C)(C)C)O)N2N=C3C=CC(=CC3=N2)C(F)(F)F

Isomeric SMILES

CC1=C(C(=C(C=C1CCC(=O)O)C(C)(C)C)O)N2N=C3C=CC(=CC3=N2)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3/c1-11-12(5-8-17(28)29)9-14(20(2,3)4)19(30)18(11)27-25-15-7-6-13(21(22,23)24)10-16(15)26-27/h6-7,9-10,30H,5,8H2,1-4H3,(H,28,29)