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Y96

Summary
Name:5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
Formula:C21 H20 N2 O2
Formal charge:0
Formula weight:332.396 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
OpenEye OEToolkits2.0.75-[(~{E})-hydroxyiminomethyl]-2-methyl-~{N}-[(1~{R})-1-naphthalen-1-ylethyl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c1c(ccc(\C=N\O)c1)C)NC(C)c2cccc3c2cccc3
InChIInChI1.03InChI=1S/C21H20N2O2/c1-14-10-11-16(13-22-25)12-20(14)21(24)23-15(2)18-9-5-7-17-6-3-4-8-19(17)18/h3-13,15,25H,1-2H3,(H,23,24)/b22-13+/t15-/m1/s1
InChIKeyInChI1.03UTAGJMUNTWRPTE-IKMPRTQCSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](NC(=O)c1cc(ccc1C)\C=N\O)c2cccc3ccccc23
SMILESCACTVS3.385C[CH](NC(=O)c1cc(ccc1C)C=NO)c2cccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1C(=O)N[C@H](C)c2cccc3c2cccc3)/C=N/O
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1C(=O)NC(C)c2cccc3c2cccc3)C=NO

221371

PDB entries from 2024-06-19

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