
 CHEMBL182554

 71 74  0  0  0  0  0  0  0  0999 V2000
    2.6784    0.1572   -0.4214 C   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL182554

>  <PubChem CID>
9806086

>  <Formula>
C29H34N4O4

>  <Molecular Weight>
502.615000

>  <IUPAC Name>
2-methoxy-4-[(4-phenoxyphenyl)carbamoylamino]-N-(3-piperidin-1-ylpropyl)benzamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NCCCN4CCCCC4

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NCCCN4CCCCC4

>  <InChI Std. ID>
InChI=1S/C29H34N4O4/c1-36-27-21-23(13-16-26(27)28(34)30-17-8-20-33-18-6-3-7-19-33)32-29(35)31-22-11-14-25(15-12-22)37-24-9-4-2-5-10-24/h2,4-5,9-16,21H,3,6-8,17-20H2,1H3,(H,30,34)(H2,31,32,35)

>  <InChI Key>
DCMOVMXTFVOSNS-UHFFFAOYSA-N

