
 RS-17053

 58 61  0  0  0  0  0  0  0  0999 V2000
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    3.1545   -0.6167    0.6581 C   0  0  0  0  0
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    3.9302   -4.0717   -2.3258 N   0  0  0  0  0
    2.7827   -3.6091   -2.9254 C   0  0  0  0  0
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    1.9531   -4.2214   -3.8736 C   0  0  0  0  0
   -0.8112   -1.3725   -4.3930 Cl  0  0  0  0  0
    3.5488    0.6551    1.3299 N   0  0  0  0  0
    3.1796    1.8900    0.6304 C   0  0  0  0  0
    3.6895    3.1380    1.3704 C   0  0  0  0  0
    3.3094    4.2780    0.5976 O   0  0  0  0  0
    3.6280    5.5271    1.0510 C   0  0  0  0  0
    4.3675    5.7504    2.2222 C   0  0  0  0  0
    4.6454    7.0474    2.6631 C   0  0  0  0  0
    4.1839    8.1406    1.9416 C   0  0  0  0  0
    3.4498    7.9327    0.7766 C   0  0  0  0  0
    3.1739    6.6370    0.3138 C   0  0  0  0  0
    2.4225    6.6456   -0.8333 O   0  0  0  0  0
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    1.6525    5.8047   -2.9033 C   0  0  0  0  0
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    1.3050   -1.7347    0.2903 H   0  0  0  0  0
    3.2894   -1.6254    2.6055 H   0  0  0  0  0
    4.7766   -1.7155    1.6497 H   0  0  0  0  0
    3.3804   -2.7263    1.2388 H   0  0  0  0  0
    4.8897   -0.5673   -0.6611 H   0  0  0  0  0
    3.4385    0.0695   -1.4043 H   0  0  0  0  0
    5.3519   -3.3087   -0.9316 H   0  0  0  0  0
    4.3491   -4.9736   -2.5076 H   0  0  0  0  0
    1.2043   -0.6233   -2.5291 H   0  0  0  0  0
    0.1754   -3.9542   -5.0530 H   0  0  0  0  0
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    2.0924    1.9732    0.5213 H   0  0  0  0  0
    3.6019    1.9182   -0.3791 H   0  0  0  0  0
    4.7818    3.0898    1.4549 H   0  0  0  0  0
    3.2328    3.1873    2.3663 H   0  0  0  0  0
    4.7420    4.9301    2.8259 H   0  0  0  0  0
    5.2172    7.2010    3.5739 H   0  0  0  0  0
    4.3934    9.1518    2.2792 H   0  0  0  0  0
    3.0857    8.7894    0.2122 H   0  0  0  0  0
    1.9097    4.6561   -1.1436 H   0  0  0  0  0
    3.4417    5.1960   -1.9212 H   0  0  0  0  0
    2.1859    6.5065   -3.5338 H   0  0  0  0  0
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    0.7433    4.7461   -4.6480 H   0  0  0  0  0
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   -0.3437    5.7305   -1.9034 H   0  0  0  0  0
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M  END

>  <Chemical Name>
RS-17053

>  <PubChem CID>
3894573

>  <Formula>
C24H29ClN2O2

>  <Molecular Weight>
412.958000

>  <IUPAC Name>
1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4

>  <Isomeric SMILES>
CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4

>  <InChI Std. ID>
InChI=1S/C24H29ClN2O2/c1-24(2,14-18-15-26-21-10-9-19(25)13-20(18)21)27-11-12-28-22-5-3-4-6-23(22)29-16-17-7-8-17/h3-6,9-10,13,15,17,26-27H,7-8,11-12,14,16H2,1-2H3

>  <InChI Key>
XLZHXAXXJVKTFM-UHFFFAOYSA-N

