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JGN

Summary
Name:[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol
Formula:C18 H26 N2 O2
Formal charge:0
Formula weight:302.411 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S},4~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]-4-methoxy-piperidin-2-yl]methanol

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H26N2O2/c1-12-8-13(2)18-16(4-6-19-18)17(12)10-20-7-5-15(22-3)9-14(20)11-21/h4,6,8,14-15,19,21H,5,7,9-11H2,1-3H3/t14-,15-/m0/s1
InChIKeyInChI1.03MBNDMTBONUNJAQ-GJZGRUSLSA-N
SMILES_CANONICALCACTVS3.385CO[C@H]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[C@H](CO)C1
SMILESCACTVS3.385CO[CH]1CCN(Cc2c(C)cc(C)c3[nH]ccc23)[CH](CO)C1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(c2c(c1CN3CC[C@@H](C[C@H]3CO)OC)cc[nH]2)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(c2c(c1CN3CCC(CC3CO)OC)cc[nH]2)C

217705

PDB entries from 2024-03-27

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