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JDX

Summary
Name:2-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid
Formula:C26 H28 N2 O5
Formal charge:0
Formula weight:448.511 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methoxy-6-{[{2-[(4-methoxybenzyl)carbamoyl]benzyl}(methyl)amino]methyl}benzoic acid
OpenEye OEToolkits1.9.22-methoxy-6-[[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl-methyl-amino]methyl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NCc1ccc(OC)cc1)c2ccccc2CN(C)Cc3cccc(OC)c3C(=O)O
InChIInChI1.03InChI=1S/C26H28N2O5/c1-28(17-20-8-6-10-23(33-3)24(20)26(30)31)16-19-7-4-5-9-22(19)25(29)27-15-18-11-13-21(32-2)14-12-18/h4-14H,15-17H2,1-3H3,(H,27,29)(H,30,31)
InChIKeyInChI1.03OZXTYFPVKCOLRF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(CNC(=O)c2ccccc2CN(C)Cc3cccc(OC)c3C(O)=O)cc1
SMILESCACTVS3.385COc1ccc(CNC(=O)c2ccccc2CN(C)Cc3cccc(OC)c3C(O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.9.2CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC
SMILESOpenEye OEToolkits1.9.2CN(Cc1ccccc1C(=O)NCc2ccc(cc2)OC)Cc3cccc(c3C(=O)O)OC

218500

PDB entries from 2024-04-17

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