(phenylmethyl) (2R,5R)-2-butyl-5-(4-phenylmethoxybutyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5R)-2-butyl-5-(4-phenylmethoxybutyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5R)-2-(4-benzyloxybutyl)-5-butyl-pyrrolidine-1-carboxylate CAS Name: (2R,5R)-2-butyl-5-(4-phenylmethoxybutyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5R)-2-butyl-5-(4-phenylmethoxybutyl)pyrrolidine-1-carboxylate Traditional Name: (2R,5R)-2-(4-benzoxybutyl)-5-butyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H37NO3 MolecularWeight: 423.58758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCCOCC3=CC=CC=C3

Isomeric SMILES

CCCC[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)CCCCOCC3=CC=CC=C3

InChI

InChI=1S/C27H37NO3/c1-2-3-16-25-18-19-26(17-10-11-20-30-21-23-12-6-4-7-13-23)28(25)27(29)31-22-24-14-8-5-9-15-24/h4-9,12-15,25-26H,2-3,10-11,16-22H2,1H3/t25-,26-/m1/s1