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A1A0U

Summary
Name:(1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol
Formula:C24 H32 N2 O3
Formal charge:0
Formula weight:396.522 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol
OpenEye OEToolkits2.0.74-[(3~{R})-3-[(~{E})-~{N}-methoxy-~{C}-(6-methoxynaphthalen-2-yl)carbonimidoyl]piperidin-1-yl]cyclohexan-1-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01COc1ccc2cc(ccc2c1)C(=N\OC)\C1CCCN(C1)C1CCC(O)CC1
InChIInChI1.06InChI=1S/C24H32N2O3/c1-28-23-12-7-17-14-19(6-5-18(17)15-23)24(25-29-2)20-4-3-13-26(16-20)21-8-10-22(27)11-9-21/h5-7,12,14-15,20-22,27H,3-4,8-11,13,16H2,1-2H3/b25-24-/t20-,21-,22+/m1/s1
InChIKeyInChI1.06HBEFVCXLBNQERU-VKIXPFCZSA-N
SMILES_CANONICALCACTVS3.385CO\N=C(/[C@@H]1CCCN(C1)[C@H]2CC[C@@H](O)CC2)c3ccc4cc(OC)ccc4c3
SMILESCACTVS3.385CON=C([CH]1CCCN(C1)[CH]2CC[CH](O)CC2)c3ccc4cc(OC)ccc4c3
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc2cc(ccc2c1)/C(=N/OC)/[C@@H]3CCCN(C3)C4CCC(CC4)O
SMILESOpenEye OEToolkits2.0.7COc1ccc2cc(ccc2c1)C(=NOC)C3CCCN(C3)C4CCC(CC4)O

248335

PDB entries from 2026-01-28

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