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Amb22893741

Duplicate ID
Molecule Name 10'-(1-methyl-1H-pyrazol-5-yl)-9',10'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[2,3-f]chromene]-4',8'-dione
SmilesC[n]1[n]ccc1C1CC(=O)Oc2ccc3c(OC4(CC3=O)CCCCC4)c21
InchiKeyNKINFRTUPNESRM-UHFFFAOYSA-N
InChi InChI=1S/C21H22N2O4/c1-23-15(7-10-22-23)14-11-18(25)26-17-6-5-13-16(24)12-21(8-3-2-4-9-21)27-20(13)19(14)17/h5-7,10,14H,2-4,8-9,11-12H2,1H3
Formula C21H22N2O4
Molecular weight 366.41
Rings 5
logP 3.5292
PSA 70.42
MR 98.8585
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