
 CHEMBL3946820

 49 52  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3946820

>  <PubChem CID>
134148110

>  <Formula>
C21H22FNO4

>  <Molecular Weight>
371.408000

>  <IUPAC Name>
3-[(2R)-6-(6-cyclobutyloxy-3-fluoropyridin-2-yl)-3,4-dihydro-2H-chromen-2-yl]propanoic acid

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(C1)OC2=NC(=C(C=C2)F)C3=CC4=C(C=C3)OC(CC4)CCC(=O)O

>  <Isomeric SMILES>
C1CC(C1)OC2=NC(=C(C=C2)F)C3=CC4=C(C=C3)O[C@H](CC4)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C21H22FNO4/c22-17-8-10-19(27-15-2-1-3-15)23-21(17)14-5-9-18-13(12-14)4-6-16(26-18)7-11-20(24)25/h5,8-10,12,15-16H,1-4,6-7,11H2,(H,24,25)/t16-/m1/s1

>  <InChI Key>
BRPCAFPEVVYTLN-MRXNPFEDSA-N

