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1U7

Summary
Name:(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol
Formula:C15 H21 N O
Formal charge:0
Formula weight:231.333 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(4R,4aS,8aS)-4-phenyldecahydroquinolin-4-ol
OpenEye OEToolkits1.7.6(4R,4aS,8aS)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OC2(c1ccccc1)C3C(NCC2)CCCC3
InChIInChI1.03InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15-/m0/s1
InChIKeyInChI1.03JENIXYWBDVSBMO-KKUMJFAQSA-N
SMILES_CANONICALCACTVS3.370O[C@@]1(CCN[C@H]2CCCC[C@H]12)c3ccccc3
SMILESCACTVS3.370O[C]1(CCN[CH]2CCCC[CH]12)c3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)[C@]2(CCN[C@@H]3[C@@H]2CCCC3)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C2(CCNC3C2CCCC3)O

218853

PDB entries from 2024-04-24

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