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JYH

Summary
Name:4-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid
Formula:C24 H17 N O3
Formal charge:0
Formula weight:367.397 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{[(8-phenylnaphthalen-2-yl)carbonyl]amino}benzoic acid
OpenEye OEToolkits1.7.64-[(8-phenylnaphthalen-2-yl)carbonylamino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(Nc1ccc(cc1)C(=O)O)c4cc3c(c2ccccc2)cccc3cc4
InChIInChI1.03InChI=1S/C24H17NO3/c26-23(25-20-13-11-18(12-14-20)24(27)28)19-10-9-17-7-4-8-21(22(17)15-19)16-5-2-1-3-6-16/h1-15H,(H,25,26)(H,27,28)
InChIKeyInChI1.03BVFVCDJTSNPOPW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370OC(=O)c1ccc(NC(=O)c2ccc3cccc(c4ccccc4)c3c2)cc1
SMILESCACTVS3.370OC(=O)c1ccc(NC(=O)c2ccc3cccc(c4ccccc4)c3c2)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)c2cccc3c2cc(cc3)C(=O)Nc4ccc(cc4)C(=O)O

218853

PDB entries from 2024-04-24

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