
 CHEMBL3909448

 59 61  0  0  0  0  0  0  0  0999 V2000
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    6.6927    2.2026    1.2165 C   0  0  0  0  0
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   10.9565    4.2942    1.7102 C   0  0  0  0  0
    1.6252   -0.2959   -1.6588 H   0  0  0  0  0
    3.3362   -0.0974   -1.2891 H   0  0  0  0  0
    2.4265    1.2399   -2.0145 H   0  0  0  0  0
    1.9581    0.0491    0.7800 H   0  0  0  0  0
    0.9411    1.2702    0.0386 H   0  0  0  0  0
    1.8540    3.3489   -0.7348 H   0  0  0  0  0
    3.6226    3.3397   -0.9324 H   0  0  0  0  0
    1.1955    2.4548    1.9828 H   0  0  0  0  0
    3.8018    2.0324    3.5181 H   0  0  0  0  0
    2.6181    0.7378    3.2105 H   0  0  0  0  0
    2.1666    2.1694    4.1473 H   0  0  0  0  0
    4.0247    8.4347   -1.1969 H   0  0  0  0  0
    1.7709    9.3576   -0.8620 H   0  0  0  0  0
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    0.0533    4.4418    0.5189 H   0  0  0  0  0
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   11.0890    4.1087    0.6391 H   0  0  0  0  0
   11.5493    3.5930    2.3078 H   0  0  0  0  0
  1  2  1  0  0  0
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  3 18  1  0  0  0
  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3909448

>  <PubChem CID>
51034006

>  <Formula>
C24H27F3N2O3

>  <Molecular Weight>
448.486000

>  <IUPAC Name>
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)OC

>  <Isomeric SMILES>
CC[C@]1(CN(C(=O)[C@H]1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)OC

>  <InChI Std. ID>
InChI=1S/C24H27F3N2O3/c1-6-23(13-29(21(30)16(23)4)20-14(2)8-7-9-15(20)3)22(31)28-18-10-17(24(25,26)27)11-19(12-18)32-5/h7-12,16H,6,13H2,1-5H3,(H,28,31)/t16-,23-/m1/s1

>  <InChI Key>
JHSNMJINMARKTQ-WAIKUNEKSA-N

