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A1EAC

Summary
Name:2-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid
Formula:C23 H18 N2 O6
Formal charge:0
Formula weight:418.399 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.72-[(1-methoxy-7-naphthalen-2-yloxy-4-oxidanyl-isoquinolin-3-yl)carbonylamino]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C23H18N2O6/c1-30-23-18-11-16(31-15-7-6-13-4-2-3-5-14(13)10-15)8-9-17(18)21(28)20(25-23)22(29)24-12-19(26)27/h2-11,28H,12H2,1H3,(H,24,29)(H,26,27)
InChIKeyInChI1.06OJFUTFNCRATZLZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc4ccccc4c3)cc12
SMILESCACTVS3.385COc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccc4ccccc4c3)cc12
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccc4ccccc4c3
SMILESOpenEye OEToolkits2.0.7COc1c2cc(ccc2c(c(n1)C(=O)NCC(=O)O)O)Oc3ccc4ccccc4c3

248942

PDB entries from 2026-02-11

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