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A1AO8

Summary
Name:3-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
Formula:C24 H21 F N2 O3
Formal charge:0
Formula weight:404.434 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.73-[2-(dimethylamino)-2-oxidanylidene-ethyl]-5-fluoranyl-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CN(C)C(=O)Cc1c2cc(F)ccc2n(Cc2cccc3ccccc32)c1C(=O)O
InChIInChI1.06InChI=1S/C24H21FN2O3/c1-26(2)22(28)13-20-19-12-17(25)10-11-21(19)27(23(20)24(29)30)14-16-8-5-7-15-6-3-4-9-18(15)16/h3-12H,13-14H2,1-2H3,(H,29,30)
InChIKeyInChI1.06SZZHBDYOLFEVKI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)C(=O)Cc1c2cc(F)ccc2n(Cc3cccc4ccccc34)c1C(O)=O
SMILESCACTVS3.385CN(C)C(=O)Cc1c2cc(F)ccc2n(Cc3cccc4ccccc34)c1C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(C)C(=O)Cc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F
SMILESOpenEye OEToolkits2.0.7CN(C)C(=O)Cc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F

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PDB entries from 2026-06-24

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