tert-butyl 3-methyl-4-oxidanyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-4-oxidanyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-3-methyl-4-[5-(trifluoromethyl)benzofuran-7-yl]piperidine-1-carboxylate CAS Name: 4-hydroxy-3-methyl-4-[5-(trifluoromethyl)-7-benzofuranyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-3-methyl-4-[5-(trifluoromethyl)benzofuran-7-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H24F3NO4 MolecularWeight: 399.40407

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCC1(C2=C3C(=CC(=C2)C(F)(F)F)C=CO3)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CCC1(C2=C3C(=CC(=C2)C(F)(F)F)C=CO3)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H24F3NO4/c1-12-11-24(17(25)28-18(2,3)4)7-6-19(12,26)15-10-14(20(21,22)23)9-13-5-8-27-16(13)15/h5,8-10,12,26H,6-7,11H2,1-4H3