VX7

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Summary

Name:N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
Formula:C24 H28 N2 O3
Formal charge:0
Molecular weight:392.491 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
OpenEye OEToolkits2.0.7~{N}-(2,4-di~{tert}-butyl-5-oxidanyl-phenyl)-4-oxidanylidene-1~{H}-quinoline-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1ccccc1NC=C2C(Nc3c(cc(c(c3)O)C(C)(C)C)C(C)(C)C)=O
InChIInChI1.03InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)
InChIKeyInChI1.03PURKAOJPTOLRMP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)(C)c1cc(c(NC(=O)C2=CNc3ccccc3C2=O)cc1O)C(C)(C)C
SMILESCACTVS3.385CC(C)(C)c1cc(c(NC(=O)C2=CNc3ccccc3C2=O)cc1O)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C
SMILESOpenEye OEToolkits2.0.7CC(C)(C)c1cc(c(cc1NC(=O)C2=CNc3ccccc3C2=O)O)C(C)(C)C
171916
PDB entries from 2020-12-02