
 SCHEMBL1986618

 84 88  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL1986618

>  <PubChem CID>
58312622

>  <Formula>
C33H41ClFN3O5

>  <Molecular Weight>
614.155000

>  <IUPAC Name>
(4-fluorophenyl) N-[(3S,4R)-4-(4-chlorophenyl)-1-[1-(2,2-dimethyloxane-4-carbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-ethylcarbamate

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN(C1CN(CC1C2=CC=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)C4CCOC(C4)(C)C)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)C4CCOC(C4)(C)C)C(=O)OC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C33H41ClFN3O5/c1-4-38(32(41)43-27-11-9-26(35)10-12-27)29-21-37(20-28(29)22-5-7-25(34)8-6-22)30(39)23-13-16-36(17-14-23)31(40)24-15-18-42-33(2,3)19-24/h5-12,23-24,28-29H,4,13-21H2,1-3H3/t24?,28-,29+/m0/s1

>  <InChI Key>
BPFKGAJXLJBBHS-RENJQWLISA-N

