
 SCHEMBL1989445

 78 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1989445

>  <PubChem CID>
58312644

>  <Formula>
C31H37ClFN3O5

>  <Molecular Weight>
586.101000

>  <IUPAC Name>
(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(C1CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)C4CCOCC4)C(=O)OC5=CC=C(C=C5)F

>  <Isomeric SMILES>
CCN([C@@H]1CN(C[C@H]1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)C4CCOCC4)C(=O)OC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C31H37ClFN3O5/c1-2-36(31(39)41-26-9-7-25(33)8-10-26)28-20-35(19-27(28)21-3-5-24(32)6-4-21)30(38)22-11-15-34(16-12-22)29(37)23-13-17-40-18-14-23/h3-10,22-23,27-28H,2,11-20H2,1H3/t27-,28+/m0/s1

>  <InChI Key>
AUUPZFZZCRPIRL-WUFINQPMSA-N

