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

Systemtic Name: 3-[3-tert-butyl-4-oxidanyl-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid Openeye Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid CAS Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)-2-benzotriazolyl]phenyl]propanoic acid IUPAC Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propanoic acid Traditional Name: 3-[3-tert-butyl-4-hydroxy-5-[5-(trifluoromethyl)benzotriazol-2-yl]phenyl]propionic acid Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)C(F)(F)F)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)CCC(=O)O)N2N=C3C=CC(=CC3=N2)C(F)(F)F)O

InChI

InChI=1S/C20H20F3N3O3/c1-19(2,3)13-8-11(4-7-17(27)28)9-16(18(13)29)26-24-14-6-5-12(20(21,22)23)10-15(14)25-26/h5-6,8-10,29H,4,7H2,1-3H3,(H,27,28)