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OVJ

Summary
Name:{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
Formula:C17 H15 N O4
Formal charge:0
Formula weight:297.305 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
OpenEye OEToolkits2.0.72-[6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3
InChIInChI1.03InChI=1S/C17H15NO4/c1-21-14-5-2-12(3-6-14)18-13-4-7-15-11(8-17(19)20)10-22-16(15)9-13/h2-7,9-10,18H,8H2,1H3,(H,19,20)
InChIKeyInChI1.03MFCXHNGDMBSNNX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1
SMILESCACTVS3.385COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O

218853

PDB entries from 2024-04-24

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