
 CHEMBL3930615

 56 59  0  0  0  0  0  0  0  0999 V2000
    2.7016   -1.2397   -0.0439 C   0  0  0  0  0
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    3.0725   -6.7606   -0.2246 C   0  0  0  0  0
    3.8677   -7.6558    0.7379 C   0  0  0  0  0
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    3.0664   -3.6924    1.2575 H   0  0  0  0  0
    4.2553   -4.9425    1.5102 H   0  0  0  0  0
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  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3930615

>  <PubChem CID>
134138461

>  <Formula>
C23H28N2O3

>  <Molecular Weight>
380.488000

>  <IUPAC Name>
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[(2S)-2-[(2-methylphenoxy)methyl]morpholin-4-yl]ethanone

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCOC(C3)COC4=CC=CC=C4C

>  <Isomeric SMILES>
CC1CC2=CC=CC=C2N1C(=O)CN3CCO[C@@H](C3)COC4=CC=CC=C4C

>  <InChI Std. ID>
InChI=1S/C23H28N2O3/c1-17-7-3-6-10-22(17)28-16-20-14-24(11-12-27-20)15-23(26)25-18(2)13-19-8-4-5-9-21(19)25/h3-10,18,20H,11-16H2,1-2H3/t18?,20-/m0/s1

>  <InChI Key>
HHTOEBWSVPCHMS-IJHRGXPZSA-N

