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A1AOO

Summary
Name:1-[(8-methylnaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
Formula:C21 H17 N O2
Formal charge:0
Formula weight:315.365 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(8-methylnaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.71-[(8-methylnaphthalen-1-yl)methyl]indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1cc2ccccc2n1Cc1cccc2cccc(C)c21
InChIInChI1.06InChI=1S/C21H17NO2/c1-14-6-4-8-15-9-5-10-17(20(14)15)13-22-18-11-3-2-7-16(18)12-19(22)21(23)24/h2-12H,13H2,1H3,(H,23,24)
InChIKeyInChI1.06CADUYJSOORIVGY-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc2cccc(Cn3c(cc4ccccc34)C(O)=O)c12
SMILESCACTVS3.385Cc1cccc2cccc(Cn3c(cc4ccccc34)C(O)=O)c12
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc2c1c(ccc2)Cn3c4ccccc4cc3C(=O)O
SMILESOpenEye OEToolkits2.0.7Cc1cccc2c1c(ccc2)Cn3c4ccccc4cc3C(=O)O

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PDB entries from 2026-03-25

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