
 CHEMBL51692

 70 72  0  0  0  0  0  0  0  0999 V2000
    1.6790   -0.6622   -0.5679 C   0  0  0  0  0
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    3.0387    2.0178   -2.3139 H   0  0  0  0  0
    4.1086    1.6870   -0.0460 H   0  0  0  0  0
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    1.7175    6.5470    0.8719 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL51692

>  <PubChem CID>
14570112

>  <Formula>
C29H36N2O3

>  <Molecular Weight>
460.618000

>  <IUPAC Name>
3-butyl-4-(3,4-dimethoxyphenyl)-N-[(2R)-5-pyridin-3-ylpentan-2-yl]benzamide

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCCC1=C(C=CC(=C1)C(=O)NC(C)CCCC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC

>  <Isomeric SMILES>
CCCCC1=C(C=CC(=C1)C(=O)N[C@H](C)CCCC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC

>  <InChI Std. ID>
InChI=1S/C29H36N2O3/c1-5-6-12-23-18-25(13-15-26(23)24-14-16-27(33-3)28(19-24)34-4)29(32)31-21(2)9-7-10-22-11-8-17-30-20-22/h8,11,13-21H,5-7,9-10,12H2,1-4H3,(H,31,32)/t21-/m1/s1

>  <InChI Key>
CVYKZBQKPODZOD-OAQYLSRUSA-N

