Marvin  05211018212D          

 21 23  0  0  1  0            999 V2000
   -0.2208    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2167    1.4208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8042    2.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917    1.1333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9167    1.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9458    1.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2208   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    0.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1417    2.8958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042   -0.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4917   -0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458    1.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -0.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -1.3417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2833    2.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6208    2.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3708    3.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5458    3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3292    1.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  1  1  0  0  0  0
  8  6  1  0  0  0  0
  9  1  2  0  0  0  0
 10  6  1  0  0  0  0
 11  3  2  0  0  0  0
 12 13  2  0  0  0  0
 13  9  1  0  0  0  0
 14  7  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 14  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
  6 21  1  1  0  0  0
 12  4  1  0  0  0  0
 20 19  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <ID>
CHEBI:59540

> <NAME>
(+)-rolipram

> <DEFINITION>
The (S)-enantiomer of rolipram.

> <STAR>
3

> <SYNONYM>
(S)-(+)-rolipram

> <IUPAC_NAME>
(4S)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]pyrrolidin-2-one

> <FORMULA>
C16H21NO3

> <MASS>
275.34280

> <MONOISOTOPIC_MASS>
275.15214

> <CHARGE>
0

> <SMILES>
[H][C@@]1(CNC(=O)C1)c1ccc(OC)c(OC2CCCC2)c1

> <INCHI>
InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m1/s1

> <INCHIKEY>
HJORMJIFDVBMOB-GFCCVEGCSA-N

> <CAS_REGISTRY_NUMBER>
85416-73-5

> <CHEMIDPLUS>
85416-73-5

> <LINCS_ACCESSION>
LSM-25607

$$$$