
 CHEMBL320071

 46 48  0  0  0  0  0  0  0  0999 V2000
    0.0858    1.3646   -3.0417 C   0  0  0  0  0
    1.0418    0.5335   -2.3963 O   0  0  0  0  0
    1.2359    0.7153   -1.0476 C   0  0  0  0  0
    0.5362    1.6562   -0.2781 C   0  0  0  0  0
    0.7931    1.7929    1.0878 C   0  0  0  0  0
    1.7589    1.0014    1.6961 C   0  0  0  0  0
    2.4617    0.0623    0.9416 C   0  0  0  0  0
    2.1991   -0.1140   -0.4290 C   0  0  0  0  0
    2.9591   -1.1137   -1.2125 C   0  0  0  0  0
    3.4651   -2.2539   -0.7111 C   0  0  0  0  0
    4.2509   -3.2656   -1.5073 C   0  0  0  0  0
    5.7209   -3.4056   -1.0316 C   0  0  0  0  0
    5.8609   -4.1163    0.2646 N   0  0  0  0  0
    5.1809   -5.4232    0.1414 C   0  0  0  0  0
    3.7126   -5.2471   -0.2755 C   0  0  0  0  0
    3.5784   -4.5364   -1.5125 O   0  0  0  0  0
    7.2897   -4.2682    0.5920 C   0  0  0  0  0
    7.5761   -4.7979    1.9849 C   0  0  0  0  0
    6.8060   -4.4137    3.0941 C   0  0  0  0  0
    7.1218   -4.8744    4.3753 C   0  0  0  0  0
    8.2239   -5.7055    4.5601 C   0  0  0  0  0
    9.0128   -6.0801    3.4757 C   0  0  0  0  0
    8.6917   -5.6254    2.1941 C   0  0  0  0  0
    8.6208   -6.2645    6.1384 Cl  0  0  0  0  0
    0.0733    1.0989   -4.1031 H   0  0  0  0  0
    0.3653    2.4210   -2.9687 H   0  0  0  0  0
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    3.2259   -0.5275    1.4413 H   0  0  0  0  0
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    4.2779   -2.9436   -2.5558 H   0  0  0  0  0
    6.1726   -2.4083   -0.9588 H   0  0  0  0  0
    6.2727   -3.9592   -1.8042 H   0  0  0  0  0
    5.6907   -6.0449   -0.6059 H   0  0  0  0  0
    5.2007   -5.9607    1.0956 H   0  0  0  0  0
    3.2555   -6.2319   -0.4184 H   0  0  0  0  0
    3.1361   -4.7420    0.5076 H   0  0  0  0  0
    7.7799   -3.2870    0.5382 H   0  0  0  0  0
    7.7781   -4.9099   -0.1537 H   0  0  0  0  0
    5.9509   -3.7536    2.9609 H   0  0  0  0  0
    6.5088   -4.5760    5.2213 H   0  0  0  0  0
    9.8803   -6.7184    3.6201 H   0  0  0  0  0
    9.3249   -5.9163    1.3584 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL320071

>  <PubChem CID>
11405182

>  <Formula>
C20H22ClNO2

>  <Molecular Weight>
343.851000

>  <IUPAC Name>
4-[(4-chlorophenyl)methyl]-2-[(E)-2-(2-methoxyphenyl)ethenyl]morpholine

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC=C1C=CC2CN(CCO2)CC3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
COC1=CC=CC=C1/C=C/C2CN(CCO2)CC3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C20H22ClNO2/c1-23-20-5-3-2-4-17(20)8-11-19-15-22(12-13-24-19)14-16-6-9-18(21)10-7-16/h2-11,19H,12-15H2,1H3/b11-8+

>  <InChI Key>
AAQNNIHULWOFRN-DHZHZOJOSA-N

