
 CHEMBL215841

 58 60  0  0  0  0  0  0  0  0999 V2000
    7.3373   -3.8869    3.4416 C   0  0  0  0  0
    6.9891   -2.6038    2.7361 C   0  0  0  0  0
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    9.1204    3.3343   -1.0806 C   0  0  0  0  0
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   11.3766    3.9657   -1.2928 O   0  0  0  0  0
    9.8092    5.3076   -2.3108 N   0  0  0  0  0
   10.7815    6.2264   -2.8731 C   0  0  0  0  0
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   10.4458    5.3790   -5.2300 N   0  0  0  0  0
    9.7006    6.5353   -5.7284 C   0  0  0  0  0
    9.0854    5.9865   -7.0033 C   0  0  0  0  0
   10.1441    5.0445   -7.5585 C   0  0  0  0  0
   11.1180    4.8165   -6.4083 C   0  0  0  0  0
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    4.7435   -3.5214    1.9119 C   0  0  0  0  0
    6.6472   -4.0659    4.2697 H   0  0  0  0  0
    8.3538   -3.8578    3.8466 H   0  0  0  0  0
    7.3003   -4.7267    2.7407 H   0  0  0  0  0
    4.6767   -1.1426    0.6932 H   0  0  0  0  0
    8.2999    0.5163    2.2977 H   0  0  0  0  0
    8.7675   -1.5904    3.4476 H   0  0  0  0  0
    7.7603    4.9420   -0.7517 H   0  0  0  0  0
   10.3223    1.5526   -1.2782 H   0  0  0  0  0
    8.5805    0.0627   -0.3804 H   0  0  0  0  0
    8.9234    5.2446   -2.7967 H   0  0  0  0  0
   11.5669    6.4040   -2.1300 H   0  0  0  0  0
   10.2652    7.1764   -3.0421 H   0  0  0  0  0
   11.9895    4.8002   -3.9357 H   0  0  0  0  0
   12.1409    6.4542   -4.5298 H   0  0  0  0  0
   10.3615    7.3803   -5.9581 H   0  0  0  0  0
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    8.1732    5.4209   -6.7738 H   0  0  0  0  0
    8.8216    6.7768   -7.7129 H   0  0  0  0  0
    9.6890    4.1087   -7.8980 H   0  0  0  0  0
   10.6597    5.4993   -8.4108 H   0  0  0  0  0
   11.3382    3.7525   -6.2725 H   0  0  0  0  0
   12.0603    5.3358   -6.6280 H   0  0  0  0  0
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    5.8105    5.6796   -1.4773 H   0  0  0  0  0
    6.3269    6.2588    0.1581 H   0  0  0  0  0
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    3.8213   -3.1538    2.3775 H   0  0  0  0  0
    5.0223   -4.4453    2.4253 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 31  1  0  0  0
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  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
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  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL215841

>  <PubChem CID>
11710969

>  <Formula>
C23H29N3O3

>  <Molecular Weight>
395.503000

>  <IUPAC Name>
3-acetamido-4-(3,4-dimethylphenoxy)-N-(2-pyrrolidin-1-ylethyl)benzamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)C)C

>  <Isomeric SMILES>
CC1=C(C=C(C=C1)OC2=C(C=C(C=C2)C(=O)NCCN3CCCC3)NC(=O)C)C

>  <InChI Std. ID>
InChI=1S/C23H29N3O3/c1-16-6-8-20(14-17(16)2)29-22-9-7-19(15-21(22)25-18(3)27)23(28)24-10-13-26-11-4-5-12-26/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,28)(H,25,27)

>  <InChI Key>
GGQLFJONUYDABC-UHFFFAOYSA-N

