tert-butyl 4-(2-fluoranyl-4-phenylmethoxy-phenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-fluoranyl-4-phenylmethoxy-phenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-benzyloxy-2-fluoro-phenyl)piperazine-1-carboxylate CAS Name: 4-(2-fluoro-4-phenylmethoxyphenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-fluoro-4-phenylmethoxyphenyl)piperazine-1-carboxylate Traditional Name: 4-(4-benzoxy-2-fluoro-phenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H27FN2O3 MolecularWeight: 386.459783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)OCC3=CC=CC=C3)F

InChI

InChI=1S/C22H27FN2O3/c1-22(2,3)28-21(26)25-13-11-24(12-14-25)20-10-9-18(15-19(20)23)27-16-17-7-5-4-6-8-17/h4-10,15H,11-14,16H2,1-3H3