tert-butyl N-[4-fluoranyl-3-(2-oxidanyl-3-phenylmethoxy-propyl)-2-(trifluoromethyl)phenyl]carbamate

Systemtic Name: tert-butyl N-[4-fluoranyl-3-(2-oxidanyl-3-phenylmethoxy-propyl)-2-(trifluoromethyl)phenyl]carbamate Openeye Name: tert-butyl N-[3-(3-benzyloxy-2-hydroxy-propyl)-4-fluoro-2-(trifluoromethyl)phenyl]carbamate CAS Name: N-[4-fluoro-3-(2-hydroxy-3-phenylmethoxypropyl)-2-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-fluoro-3-(2-hydroxy-3-phenylmethoxypropyl)-2-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[3-(3-benzoxy-2-hydroxy-propyl)-4-fluoro-2-(trifluoromethyl)phenyl]carbamic acid tert-butyl ester Formula: C22H25F4NO4 MolecularWeight: 443.431813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=C(C=C1)F)CC(COCC2=CC=CC=C2)O)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=C(C=C1)F)CC(COCC2=CC=CC=C2)O)C(F)(F)F

InChI

InChI=1S/C22H25F4NO4/c1-21(2,3)31-20(29)27-18-10-9-17(23)16(19(18)22(24,25)26)11-15(28)13-30-12-14-7-5-4-6-8-14/h4-10,15,28H,11-13H2,1-3H3,(H,27,29)