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A1AOU

Summary
Name:1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
Formula:C20 H14 F N O2
Formal charge:0
Formula weight:319.329 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.71-[(7-fluoranylnaphthalen-1-yl)methyl]indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc2ccccc2n1Cc1cccc2ccc(F)cc21
InChIInChI1.06InChI=1S/C20H14FNO2/c21-16-9-8-13-5-3-6-15(17(13)11-16)12-22-18-7-2-1-4-14(18)10-19(22)20(23)24/h1-11H,12H2,(H,23,24)
InChIKeyInChI1.06VTJLBBRPEKZJJR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cc2ccccc2n1Cc3cccc4ccc(F)cc34
SMILESCACTVS3.385OC(=O)c1cc2ccccc2n1Cc3cccc4ccc(F)cc34
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc2c(c1)cc(n2Cc3cccc4c3cc(cc4)F)C(=O)O
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)cc(n2Cc3cccc4c3cc(cc4)F)C(=O)O

250835

PDB entries from 2026-03-18

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