
 CHEMBL1946780

 72 75  0  0  0  0  0  0  0  0999 V2000
    4.5284    1.1060    3.1434 C   0  0  0  0  0
    4.1475    0.9362    1.7821 O   0  0  0  0  0
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    9.6742   -4.9523   -1.3877 H   0  0  0  0  0
   11.8792   -5.2992   -2.3819 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1946780

>  <PubChem CID>
56946572

>  <Formula>
C30H34N2O6

>  <Molecular Weight>
518.610000

>  <IUPAC Name>
1-[(5,5-diphenyloxolan-2-yl)methyl]-4-(2-methoxyphenyl)piperazine;oxalic acid

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3CCC(O3)(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC3CCC(O3)(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C28H32N2O2.C2H2O4/c1-31-27-15-9-8-14-26(27)30-20-18-29(19-21-30)22-25-16-17-28(32-25,23-10-4-2-5-11-23)24-12-6-3-7-13-24;3-1(4)2(5)6/h2-15,25H,16-22H2,1H3;(H,3,4)(H,5,6)

>  <InChI Key>
DHKGWHVLDBGHID-UHFFFAOYSA-N

