
 CHEMBL576647

 42 44  0  0  0  0  0  0  0  0999 V2000
    4.6393    1.3184    3.7705 C   0  0  0  0  0
    5.6648    1.6995    2.9079 C   0  0  0  0  0
    5.4757    1.6381    1.5261 C   0  0  0  0  0
    4.2583    1.1910    0.9916 C   0  0  0  0  0
    3.2322    0.8134    1.8707 C   0  0  0  0  0
    3.4233    0.8757    3.2525 C   0  0  0  0  0
    4.0540    1.1314   -0.5100 C   0  0  0  0  0
    3.7619   -0.2201   -1.0262 N   0  0  0  0  0
    3.5006   -0.1982   -2.4780 C   0  0  0  0  0
    2.2512    0.5609   -2.8749 C   0  0  0  0  0
    2.3479    1.6723   -3.7287 C   0  0  0  0  0
    1.2067    2.3792   -4.1396 C   0  0  0  0  0
    1.3057    3.4890   -4.9948 C   0  0  0  0  0
    0.1633    4.1795   -5.4011 C   0  0  0  0  0
   -1.0903    3.7689   -4.9581 C   0  0  0  0  0
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   -0.0643    1.9627   -3.6868 C   0  0  0  0  0
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    6.2103   -0.8468   -1.2476 C   0  0  0  0  0
    6.5042   -0.6020   -2.4080 O   0  0  0  0  0
    7.1714   -0.8353   -0.3020 O   0  0  0  0  0
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    4.9223    1.5645   -1.0231 H   0  0  0  0  0
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    4.3516    0.2201   -3.0262 H   0  0  0  0  0
    3.3277    1.9890   -4.0818 H   0  0  0  0  0
    2.2770    3.8230   -5.3523 H   0  0  0  0  0
    0.2542    5.0361   -6.0637 H   0  0  0  0  0
   -1.9811    4.3046   -5.2748 H   0  0  0  0  0
   -2.1926    2.3625   -3.7712 H   0  0  0  0  0
   -1.1268    0.5172   -2.4707 H   0  0  0  0  0
    0.8928   -0.6971   -1.7650 H   0  0  0  0  0
    4.5672   -2.1917   -1.0883 H   0  0  0  0  0
    4.8999   -1.3326    0.3853 H   0  0  0  0  0
    7.9847   -0.5988   -0.7942 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL576647

>  <PubChem CID>
44473508

>  <Formula>
C20H19NO2

>  <Molecular Weight>
305.377000

>  <IUPAC Name>
2-[benzyl(naphthalen-2-ylmethyl)amino]acetic acid

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1=CC=C(C=C1)CN(CC2=CC3=CC=CC=C3C=C2)CC(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)CN(CC2=CC3=CC=CC=C3C=C2)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C20H19NO2/c22-20(23)15-21(13-16-6-2-1-3-7-16)14-17-10-11-18-8-4-5-9-19(18)12-17/h1-12H,13-15H2,(H,22,23)

>  <InChI Key>
FCIDUHFPXNZFRV-UHFFFAOYSA-N

