tert-butyl 6-[[4-(4-acetyloxy-2-azanyl-phenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate

Systemtic Name: tert-butyl 6-[[4-(4-acetyloxy-2-azanyl-phenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate Openeye Name: tert-butyl 6-[[4-(4-acetoxy-2-amino-phenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate CAS Name: 6-[[4-(4-acetyloxy-2-aminophenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(4-acetyloxy-2-aminophenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate Traditional Name: 6-[[4-(4-acetoxy-2-amino-phenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C27H26F3NO6 MolecularWeight: 517.49365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C27H26F3NO6/c1-15(32)36-19-10-11-20(22(31)13-19)16-5-8-18(9-6-16)35-14-17-7-12-21(27(28,29)30)24(33)23(17)25(34)37-26(2,3)4/h5-13,33H,14,31H2,1-4H3