[4-[1-oxidanyl-1-[3-(trifluoromethyl)phenyl]propyl]phenyl] N-butylcarbamate

Systemtic Name: [4-[1-oxidanyl-1-[3-(trifluoromethyl)phenyl]propyl]phenyl] N-butylcarbamate Openeye Name: [4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl] ester IUPAC Name: [4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [4-[1-hydroxy-1-[3-(trifluoromethyl)phenyl]propyl]phenyl] ester Formula: C21H24F3NO3 MolecularWeight: 395.41537

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)OC1=CC=C(C=C1)C(CC)(C2=CC(=CC=C2)C(F)(F)F)O

Isomeric SMILES

CCCCNC(=O)OC1=CC=C(C=C1)C(CC)(C2=CC(=CC=C2)C(F)(F)F)O

InChI

InChI=1S/C21H24F3NO3/c1-3-5-13-25-19(26)28-18-11-9-15(10-12-18)20(27,4-2)16-7-6-8-17(14-16)21(22,23)24/h6-12,14,27H,3-5,13H2,1-2H3,(H,25,26)