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G6O

Summary
Name:(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
Formula:C14 H19 N O3
Formal charge:0
Formula weight:249.306 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(4~{a}~{R},10~{b}~{R})-4-propyl-3,4~{a},5,10~{b}-tetrahydro-2~{H}-chromeno[4,3-b][1,4]oxazin-9-ol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m1/s1
InChIKeyInChI1.03YOILXOMTHPUMRG-TZMCWYRMSA-N
SMILES_CANONICALCACTVS3.385CCCN1CCO[C@H]2[C@H]1COc3ccc(O)cc23
SMILESCACTVS3.385CCCN1CCO[CH]2[CH]1COc3ccc(O)cc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCN1CCO[C@H]2[C@H]1COc3c2cc(cc3)O
SMILESOpenEye OEToolkits2.0.7CCCN1CCOC2C1COc3c2cc(cc3)O

221716

PDB entries from 2024-06-26

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