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A1AO5

Summary
Name:1-(2-methoxyethyl)-3-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
Formula:C23 H21 N O3
Formal charge:0
Formula weight:359.418 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-(2-methoxyethyl)-3-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.71-(2-methoxyethyl)-3-(naphthalen-1-ylmethyl)indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1c(Cc2cccc3ccccc32)c2ccccc2n1CCOC
InChIInChI1.06InChI=1S/C23H21NO3/c1-27-14-13-24-21-12-5-4-11-19(21)20(22(24)23(25)26)15-17-9-6-8-16-7-2-3-10-18(16)17/h2-12H,13-15H2,1H3,(H,25,26)
InChIKeyInChI1.06FPYWWHNXRUTZGQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COCCn1c2ccccc2c(Cc3cccc4ccccc34)c1C(O)=O
SMILESCACTVS3.385COCCn1c2ccccc2c(Cc3cccc4ccccc34)c1C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COCCn1c2ccccc2c(c1C(=O)O)Cc3cccc4c3cccc4
SMILESOpenEye OEToolkits2.0.7COCCn1c2ccccc2c(c1C(=O)O)Cc3cccc4c3cccc4

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PDB entries from 2026-04-08

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