G62

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Summary

Name:3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol
Formula:C17 H17 N O2
Formal charge:0
Molecular weight:267.322 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.63-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H17NO2/c19-14-4-1-3-12(9-14)15-5-2-6-16(18-15)17-7-8-20-11-13(17)10-17/h1-6,9,13,19H,7-8,10-11H2/t13-,17+/m1/s1
InChIKeyInChI1.03LKFXAVVNPRARMY-DYVFJYSZSA-N
SMILES_CANONICALCACTVS3.385Oc1cccc(c1)c2cccc(n2)[C@]34CCOC[C@H]3C4
SMILESCACTVS3.385Oc1cccc(c1)c2cccc(n2)[C]34CCOC[CH]3C4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)O)c2cccc(n2)[C@]34CCOC[C@H]3C4
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)O)c2cccc(n2)C34CCOCC3C4