(phenylmethyl) (2R,5R)-2-butyl-5-[4-oxidanylidene-7-(phenylcarbonyloxy)heptyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5R)-2-butyl-5-[4-oxidanylidene-7-(phenylcarbonyloxy)heptyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5R)-2-(7-benzoyloxy-4-oxo-heptyl)-5-butyl-pyrrolidine-1-carboxylate CAS Name: (2R,5R)-2-(7-benzoyloxy-4-oxoheptyl)-5-butyl-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5R)-2-(7-benzoyloxy-4-oxoheptyl)-5-butylpyrrolidine-1-carboxylate Traditional Name: (2R,5R)-2-(7-benzoyloxy-4-keto-heptyl)-5-butyl-pyrrolidine-1-carboxylic acid benzyl ester Formula: C30H39NO5 MolecularWeight: 493.63436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CCCC(=O)CCCOC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C30H39NO5/c1-2-3-16-26-20-21-27(31(26)30(34)36-23-24-12-6-4-7-13-24)17-10-18-28(32)19-11-22-35-29(33)25-14-8-5-9-15-25/h4-9,12-15,26-27H,2-3,10-11,16-23H2,1H3/t26-,27-/m1/s1