(phenylmethyl) (2R,5S)-2-butyl-5-[(E)-4-oxidanylidenehept-2-enyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,5S)-2-butyl-5-[(E)-4-oxidanylidenehept-2-enyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,5S)-2-butyl-5-[(E)-4-oxohept-2-enyl]pyrrolidine-1-carboxylate CAS Name: (2R,5S)-2-butyl-5-[(E)-4-oxohept-2-enyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,5S)-2-butyl-5-[(E)-4-oxohept-2-enyl]pyrrolidine-1-carboxylate Traditional Name: (2R,5S)-2-butyl-5-[(E)-4-ketohept-2-enyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H33NO3 MolecularWeight: 371.51302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(N1C(=O)OCC2=CC=CC=C2)CC=CC(=O)CCC

Isomeric SMILES

CCCC[C@@H]1CC[C@H](N1C(=O)OCC2=CC=CC=C2)C/C=C/C(=O)CCC

InChI

InChI=1S/C23H33NO3/c1-3-5-13-20-16-17-21(14-9-15-22(25)10-4-2)24(20)23(26)27-18-19-11-7-6-8-12-19/h6-9,11-12,15,20-21H,3-5,10,13-14,16-18H2,1-2H3/b15-9+/t20-,21-/m1/s1