tert-butyl 3-[(4-fluoranyl-2-phenethyl-phenoxy)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(4-fluoranyl-2-phenethyl-phenoxy)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[(4-fluoro-2-phenethyl-phenoxy)methyl]piperidine-1-carboxylate CAS Name: 3-[(4-fluoro-2-phenethylphenoxy)methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-fluoro-2-phenethylphenoxy)methyl]piperidine-1-carboxylate Traditional Name: 3-[(4-fluoro-2-phenethyl-phenoxy)methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H32FNO3 MolecularWeight: 413.524883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)COC2=C(C=C(C=C2)F)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=C(C=C(C=C2)F)CCC3=CC=CC=C3

InChI

InChI=1S/C25H32FNO3/c1-25(2,3)30-24(28)27-15-7-10-20(17-27)18-29-23-14-13-22(26)16-21(23)12-11-19-8-5-4-6-9-19/h4-6,8-9,13-14,16,20H,7,10-12,15,17-18H2,1-3H3