
 CHEMBL1242445

 66 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1242445

>  <PubChem CID>
52948119

>  <Formula>
C26H33N3O4

>  <Molecular Weight>
451.567000

>  <IUPAC Name>
1-[[(2R,4R)-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-dioxolan-2-yl]methyl]pyrrolidin-2-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3COC(O3)(CN4CCCC4=O)C5=CC=CC=C5

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)C[C@@H]3CO[C@](O3)(CN4CCCC4=O)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H33N3O4/c1-31-24-11-6-5-10-23(24)28-16-14-27(15-17-28)18-22-19-32-26(33-22,21-8-3-2-4-9-21)20-29-13-7-12-25(29)30/h2-6,8-11,22H,7,12-20H2,1H3/t22-,26+/m1/s1

>  <InChI Key>
AOZOBKDTJZCKJE-GJZUVCINSA-N

