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6CA

Summary
Name:4'-{6-[4-(2-CARBOXYPHENYLAMINO)-PHENOXY]-HEXYLOXY}-BIPHENYL-4-CARBOXYLIC ACID
Formula:C32 H31 N O6
Formal charge:0
Formula weight:525.592 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044'-[(6-{4-[(2-carboxyphenyl)amino]phenoxy}hexyl)oxy]biphenyl-4-carboxylic acid
OpenEye OEToolkits1.5.02-[[4-[6-[4-(4-carboxyphenyl)phenoxy]hexoxy]phenyl]amino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccc(cc1)c4ccc(OCCCCCCOc2ccc(cc2)Nc3ccccc3C(=O)O)cc4
SMILES_CANONICALCACTVS3.341OC(=O)c1ccc(cc1)c2ccc(OCCCCCCOc3ccc(Nc4ccccc4C(O)=O)cc3)cc2
SMILESCACTVS3.341OC(=O)c1ccc(cc1)c2ccc(OCCCCCCOc3ccc(Nc4ccccc4C(O)=O)cc3)cc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(c(c1)C(=O)O)Nc2ccc(cc2)OCCCCCCOc3ccc(cc3)c4ccc(cc4)C(=O)O
InChIInChI1.03InChI=1S/C32H31NO6/c34-31(35)25-11-9-23(10-12-25)24-13-17-27(18-14-24)38-21-5-1-2-6-22-39-28-19-15-26(16-20-28)33-30-8-4-3-7-29(30)32(36)37/h3-4,7-20,33H,1-2,5-6,21-22H2,(H,34,35)(H,36,37)
InChIKeyInChI1.03OREPXZDJHRAREJ-UHFFFAOYSA-N

223790

数据于2024-08-14公开中

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