
 CHEMBL123769

 82 86  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2  19   1  21  -1
M  END

>  <Chemical Name>
CHEMBL123769

>  <PubChem CID>
44348163

>  <Formula>
C36H37N3O6

>  <Molecular Weight>
607.707000

>  <IUPAC Name>
3-O-[3-(4,4-diphenylpiperidin-1-yl)propyl] 5-O-methyl 2,6-dimethyl-4-(4-nitrophenyl)pyridine-3,5-dicarboxylate

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=C(C(=C(C(=N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C36H37N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18H,10,19-24H2,1-3H3

>  <InChI Key>
BXERZGFRIILESM-UHFFFAOYSA-N

