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EV7

Summary
Name:2-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid
Formula:C20 H14 N2 O3
Formal charge:0
Formula weight:330.337 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[(naphthalen-2-yl)oxy]-5-(1H-pyrazol-4-yl)benzoic acid
OpenEye OEToolkits2.0.62-naphthalen-2-yloxy-5-(1~{H}-pyrazol-4-yl)benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(cc(C(O)=O)c1Oc2ccc3ccccc3c2)c4cnnc4
InChIInChI1.03InChI=1S/C20H14N2O3/c23-20(24)18-10-15(16-11-21-22-12-16)6-8-19(18)25-17-7-5-13-3-1-2-4-14(13)9-17/h1-12H,(H,21,22)(H,23,24)
InChIKeyInChI1.03CKJXZYIEHQOLFR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4
SMILESCACTVS3.385OC(=O)c1cc(ccc1Oc2ccc3ccccc3c2)c4c[nH]nc4
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4
SMILESOpenEye OEToolkits2.0.6c1ccc2cc(ccc2c1)Oc3ccc(cc3C(=O)O)c4c[nH]nc4

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PDB entries from 2024-07-17

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