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OH4

Summary
Name:{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
Formula:C14 H18 N2 O2
Formal charge:0
Formula weight:246.305 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{2-[(3S)-3-methoxy-3-phenylpropyl]-1H-imidazol-4-yl}methanol
OpenEye OEToolkits2.0.7[2-[(3~{S})-3-methoxy-3-phenyl-propyl]-1~{H}-imidazol-4-yl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c(CCC(c1ccccc1)OC)nc(c2)CO
InChIInChI1.03InChI=1S/C14H18N2O2/c1-18-13(11-5-3-2-4-6-11)7-8-14-15-9-12(10-17)16-14/h2-6,9,13,17H,7-8,10H2,1H3,(H,15,16)/t13-/m0/s1
InChIKeyInChI1.03CXHFIZNFHVDWKU-ZDUSSCGKSA-N
SMILES_CANONICALCACTVS3.385CO[C@@H](CCc1[nH]cc(CO)n1)c2ccccc2
SMILESCACTVS3.385CO[CH](CCc1[nH]cc(CO)n1)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CO[C@@H](CCc1[nH]cc(n1)CO)c2ccccc2
SMILESOpenEye OEToolkits2.0.7COC(CCc1[nH]cc(n1)CO)c2ccccc2

217705

PDB entries from 2024-03-27

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