
 SR-01000759121-1

 51 53  0  0  0  0  0  0  0  0999 V2000
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    2.9136    0.2292    1.8503 C   0  0  0  0  0
    4.0149    0.9557    1.4473 C   0  0  0  0  0
    4.7354    0.1986    0.4856 C   0  0  0  0  0
    4.0488   -1.0088    0.3466 C   0  0  0  0  0
    2.8801   -0.9300    1.0938 N   0  0  0  0  0
    1.8136   -1.9355    1.1449 C   0  0  0  0  0
    0.7267   -1.6972    0.1211 C   0  0  0  0  0
   -0.4127   -0.9446    0.4467 C   0  0  0  0  0
   -1.4326   -0.7472   -0.4871 C   0  0  0  0  0
   -1.3310   -1.3031   -1.7596 C   0  0  0  0  0
   -0.2064   -2.0510   -2.0998 C   0  0  0  0  0
    0.8168   -2.2448   -1.1673 C   0  0  0  0  0
    4.4454   -2.1973   -0.4694 C   0  0  0  0  0
    5.9713    0.5866   -0.2195 C   0  0  0  0  0
    6.5090   -0.1530   -1.0495 O   0  0  0  0  0
    6.5507    1.9819    0.0742 C   0  0  0  0  0
    7.7474    2.2799   -0.6539 O   0  0  0  0  0
    8.8416    1.5888   -0.2231 C   0  0  0  0  0
    8.8653    0.8819    0.7806 O   0  0  0  0  0
   10.0171    1.7150   -1.2047 C   0  0  0  0  0
   10.7151    3.0566   -1.1423 C   0  0  0  0  0
   11.3556    3.4808    0.0339 C   0  0  0  0  0
   12.0573    4.6885    0.0702 C   0  0  0  0  0
   12.1296    5.4878   -1.0686 C   0  0  0  0  0
   11.4965    5.0826   -2.2419 C   0  0  0  0  0
   10.7923    3.8759   -2.2795 C   0  0  0  0  0
   11.0131    0.7160   -0.9587 O   0  0  0  0  0
    2.2999    1.3811    3.5389 H   0  0  0  0  0
    1.6528   -0.2536    3.5242 H   0  0  0  0  0
    0.9957    0.9801    2.4177 H   0  0  0  0  0
    4.2732    1.9328    1.8362 H   0  0  0  0  0
    1.3896   -1.9390    2.1542 H   0  0  0  0  0
    2.2538   -2.9288    1.0221 H   0  0  0  0  0
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    1.6810   -2.8374   -1.4571 H   0  0  0  0  0
    3.8815   -3.1002   -0.2295 H   0  0  0  0  0
    5.4985   -2.4412   -0.2902 H   0  0  0  0  0
    4.3148   -1.9866   -1.5349 H   0  0  0  0  0
    6.7239    2.1041    1.1496 H   0  0  0  0  0
    5.8058    2.7224   -0.2359 H   0  0  0  0  0
    9.6259    1.5184   -2.2093 H   0  0  0  0  0
   11.3401    2.8517    0.9238 H   0  0  0  0  0
   12.5645    4.9951    0.9817 H   0  0  0  0  0
   12.6908    6.4183   -1.0459 H   0  0  0  0  0
   11.5651    5.6992   -3.1347 H   0  0  0  0  0
   10.3257    3.5688   -3.2125 H   0  0  0  0  0
   10.5438   -0.0464   -0.5720 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
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  3 32  1  0  0  0
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  5  6  1  0  0  0
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  6  7  1  0  0  0
  7  8  1  0  0  0
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  7 34  1  0  0  0
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M  END

>  <Chemical Name>
SR-01000759121-1

>  <PubChem CID>
23566939

>  <Formula>
C23H23NO4

>  <Molecular Weight>
377.440000

>  <IUPAC Name>
[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-hydroxy-2-phenylacetate

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C(C3=CC=CC=C3)O

>  <Isomeric SMILES>
CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C(C3=CC=CC=C3)O

>  <InChI Std. ID>
InChI=1S/C23H23NO4/c1-16-13-20(17(2)24(16)14-18-9-5-3-6-10-18)21(25)15-28-23(27)22(26)19-11-7-4-8-12-19/h3-13,22,26H,14-15H2,1-2H3

>  <InChI Key>
CCBQLGGKCXDGFS-UHFFFAOYSA-N

