
 CHEMBL2058398

 59 61  0  0  0  0  0  0  0  0999 V2000
    5.6622   -1.3823    0.1331 C   0  0  0  0  0
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    8.2378    7.6862    2.9436 N   0  0  0  0  0
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    4.3624   -0.9965   -3.0510 H   0  0  0  0  0
    4.9027   -2.5096   -2.2900 H   0  0  0  0  0
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    2.5237   -0.6454   -1.1968 H   0  0  0  0  0
    5.6201    2.4501   -2.2899 H   0  0  0  0  0
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    6.5297    4.7829   -2.5588 H   0  0  0  0  0
    4.7752    4.6780   -2.5418 H   0  0  0  0  0
    5.3948    6.5700   -1.1946 H   0  0  0  0  0
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    3.4745    5.2630   -0.5040 H   0  0  0  0  0
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   12.1812    5.3832    5.6837 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
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  2  5  1  0  0  0
  2  4  1  0  0  0
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  3 31  1  0  0  0
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 27 59  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2058398

>  <PubChem CID>
62706513

>  <Formula>
C22H32N2O3

>  <Molecular Weight>
372.509000

>  <IUPAC Name>
tert-butyl 4-[3-[(1-oxo-2,3-dihydroinden-5-yl)amino]propyl]piperidine-1-carboxylate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC3=C(C=C2)C(=O)CC3

>  <Isomeric SMILES>
CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC3=C(C=C2)C(=O)CC3

>  <InChI Std. ID>
InChI=1S/C22H32N2O3/c1-22(2,3)27-21(26)24-13-10-16(11-14-24)5-4-12-23-18-7-8-19-17(15-18)6-9-20(19)25/h7-8,15-16,23H,4-6,9-14H2,1-3H3

>  <InChI Key>
HDWCHQSQXHCARG-UHFFFAOYSA-N

