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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N2N=C3C=CC(=CC3=N2)C(F)(F)F)O)CCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1N2N=C3C=CC(=CC3=N2)C(F)(F)F)O)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C21H22F3N3O3/c1-12-13(6-10-18(29)30-20(2,3)4)5-9-17(28)19(12)27-25-15-8-7-14(21(22,23)24)11-16(15)26-27/h5,7-9,11,28H,6,10H2,1-4H3