tert-butyl 2-methyl-4-oxidanyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-methyl-4-oxidanyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-hydroxy-2-methyl-4-[4-(trifluoromethyl)benzothiophen-2-yl]piperidine-1-carboxylate CAS Name: 4-hydroxy-2-methyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-hydroxy-2-methyl-4-[4-(trifluoromethyl)-1-benzothiophen-2-yl]piperidine-1-carboxylate Traditional Name: 4-hydroxy-2-methyl-4-[4-(trifluoromethyl)benzothiophen-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H24F3NO3S MolecularWeight: 415.46967

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCN1C(=O)OC(C)(C)C)(C2=CC3=C(C=CC=C3S2)C(F)(F)F)O

Isomeric SMILES

CC1CC(CCN1C(=O)OC(C)(C)C)(C2=CC3=C(C=CC=C3S2)C(F)(F)F)O

InChI

InChI=1S/C20H24F3NO3S/c1-12-11-19(26,8-9-24(12)17(25)27-18(2,3)4)16-10-13-14(20(21,22)23)6-5-7-15(13)28-16/h5-7,10,12,26H,8-9,11H2,1-4H3