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A1CI5

Summary
Name:(6M)-3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1,4-dihydropyridine-2-carboxylic acid
Formula:C18 H13 N O5
Formal charge:0
Formula weight:323.3 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(6M)-3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1,4-dihydropyridine-2-carboxylic acid
OpenEye OEToolkits3.1.0.03-oxidanyl-4-oxidanylidene-6-(2-phenoxyphenyl)-1~{H}-pyridine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52OC=1C(=O)C=C(NC=1C(O)=O)c1ccccc1Oc1ccccc1
InChIInChI1.06InChI=1S/C18H13NO5/c20-14-10-13(19-16(17(14)21)18(22)23)12-8-4-5-9-15(12)24-11-6-2-1-3-7-11/h1-10,21H,(H,19,20)(H,22,23)
InChIKeyInChI1.06KWCCWLKDJYAVCR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)C1=C(O)C(=O)C=C(N1)c2ccccc2Oc3ccccc3
SMILESCACTVS3.385OC(=O)C1=C(O)C(=O)C=C(N1)c2ccccc2Oc3ccccc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(cc1)Oc2ccccc2C3=CC(=O)C(=C(N3)C(=O)O)O
SMILESOpenEye OEToolkits3.1.0.0c1ccc(cc1)Oc2ccccc2C3=CC(=O)C(=C(N3)C(=O)O)O

248335

PDB entries from 2026-01-28

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