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

Systemtic Name: tert-butyl 6-[[4-(4-acetyloxy-2-cyclopropyl-phenyl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate Openeye Name: tert-butyl 6-[[4-(4-acetoxy-2-cyclopropyl-phenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate CAS Name: 6-[[4-(4-acetyloxy-2-cyclopropylphenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(4-acetyloxy-2-cyclopropylphenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate Traditional Name: 6-[[4-(4-acetoxy-2-cyclopropyl-phenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C30H29F3O6 MolecularWeight: 542.54287

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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)C4CC4

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)C4CC4

InChI

InChI=1S/C30H29F3O6/c1-17(34)38-22-12-13-23(24(15-22)19-5-6-19)18-7-10-21(11-8-18)37-16-20-9-14-25(30(31,32)33)27(35)26(20)28(36)39-29(2,3)4/h7-15,19,35H,5-6,16H2,1-4H3