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A1AO0

Summary
Name:5-fluoro-3-{[(methoxycarbonyl)amino]methyl}-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
Formula:C23 H19 F N2 O4
Formal charge:0
Formula weight:406.406 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-fluoro-3-{[(methoxycarbonyl)amino]methyl}-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid
OpenEye OEToolkits2.0.75-fluoranyl-3-[(methoxycarbonylamino)methyl]-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC)NCc1c2cc(F)ccc2n(Cc2cccc3ccccc32)c1C(=O)O
InChIInChI1.06InChI=1S/C23H19FN2O4/c1-30-23(29)25-12-19-18-11-16(24)9-10-20(18)26(21(19)22(27)28)13-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12-13H2,1H3,(H,25,29)(H,27,28)
InChIKeyInChI1.06JOPBFPYCHOQJEN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)NCc1c2cc(F)ccc2n(Cc3cccc4ccccc34)c1C(O)=O
SMILESCACTVS3.385COC(=O)NCc1c2cc(F)ccc2n(Cc3cccc4ccccc34)c1C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COC(=O)NCc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F
SMILESOpenEye OEToolkits2.0.7COC(=O)NCc1c2cc(ccc2n(c1C(=O)O)Cc3cccc4c3cccc4)F

251174

PDB entries from 2026-03-25

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