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

Systemtic Name: tert-butyl 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 3-[[2-(4-phenylbutyl)phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 3-[[2-(4-phenylbutyl)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C27H37NO3 MolecularWeight: 423.58758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC=CC=C3

InChI

InChI=1S/C27H37NO3/c1-27(2,3)31-26(29)28-19-11-15-23(20-28)21-30-25-18-10-9-17-24(25)16-8-7-14-22-12-5-4-6-13-22/h4-6,9-10,12-13,17-18,23H,7-8,11,14-16,19-21H2,1-3H3