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SummaryGeometryRelated PDB entries

58W

Summary
Name:N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide
Formula:C17 H16 Cl N O3
Formal charge:0
Formula weight:317.767 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(5-chloro-2,4-dihydroxyphenyl)-1-phenylcyclobutanecarboxamide
OpenEye OEToolkits1.9.2N-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-1-phenyl-cyclobutane-1-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c3c(C1(CCC1)C(=O)Nc2cc(Cl)c(O)cc2O)cccc3
InChIInChI1.03InChI=1S/C17H16ClNO3/c18-12-9-13(15(21)10-14(12)20)19-16(22)17(7-4-8-17)11-5-2-1-3-6-11/h1-3,5-6,9-10,20-21H,4,7-8H2,(H,19,22)
InChIKeyInChI1.03BOHOWRMNYYPMPP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1cc(O)c(NC(=O)C2(CCC2)c3ccccc3)cc1Cl
SMILESCACTVS3.385Oc1cc(O)c(NC(=O)C2(CCC2)c3ccccc3)cc1Cl
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)C2(CCC2)C(=O)Nc3cc(c(cc3O)O)Cl

218853

PDB entries from 2024-04-24

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