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E7O

Summary
Name:2-(naphthalen-1-ylcarbamoyl)benzoic acid
Formula:C18 H13 N O3
Formal charge:0
Formula weight:291.301 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-(naphthalen-1-ylcarbamoyl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)
InChIKeyInChI1.06JXTHEWSKYLZVJC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23
SMILESCACTVS3.385OC(=O)c1ccccc1C(=O)Nc2cccc3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)cccc2NC(=O)c3ccccc3C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)cccc2NC(=O)c3ccccc3C(=O)O

220113

PDB entries from 2024-05-22

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