
 CHEMBL3329811

 64 68  0  0  0  0  0  0  0  0999 V2000
    3.5182    0.2511   -2.2118 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3329811

>  <PubChem CID>
118712578

>  <Formula>
C25H32N2O5

>  <Molecular Weight>
440.540000

>  <IUPAC Name>
3-[[4-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonyloxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN2C3=CC=CC=C3C(=C2OC1)C(=O)OCC4CCN(CC4)CC5CCC(C5)C(=O)O

>  <Isomeric SMILES>
C1CN2C3=CC=CC=C3C(=C2OC1)C(=O)OCC4CCN(CC4)CC5CCC(C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C25H32N2O5/c28-24(29)19-7-6-18(14-19)15-26-11-8-17(9-12-26)16-32-25(30)22-20-4-1-2-5-21(20)27-10-3-13-31-23(22)27/h1-2,4-5,17-19H,3,6-16H2,(H,28,29)

>  <InChI Key>
BDEZLCMWCGXDMA-UHFFFAOYSA-N

