
 CHEMBL161427

 71 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL161427

>  <PubChem CID>
13560651

>  <Formula>
C29H37NO4

>  <Molecular Weight>
463.618000

>  <IUPAC Name>
(Z)-6-[(1R,2S,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentyl]oxyhex-4-enoic acid

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)C2CCC(C2OCC=CCCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CCN(CC1)[C@H]2CC[C@@H]([C@@H]2OC/C=C\CCC(=O)O)OCC3=CC=C(C=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H37NO4/c31-28(32)12-6-2-9-21-33-29-26(30-19-7-3-8-20-30)17-18-27(29)34-22-23-13-15-25(16-14-23)24-10-4-1-5-11-24/h1-2,4-5,9-11,13-16,26-27,29H,3,6-8,12,17-22H2,(H,31,32)/b9-2-/t26-,27-,29+/m0/s1

>  <InChI Key>
BZYFYLPNTYTHJE-KPZIQFQPSA-N

