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R2C

Summary
Name:5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID
Formula:C20 H17 N O4
Formal charge:0
Formula weight:335.353 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.045-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid
OpenEye OEToolkits1.5.05-methoxy-2-[(4-phenoxyphenyl)amino]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c3cc(OC)ccc3Nc2ccc(Oc1ccccc1)cc2
SMILES_CANONICALCACTVS3.341COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(c1)C(O)=O
SMILESCACTVS3.341COc1ccc(Nc2ccc(Oc3ccccc3)cc2)c(c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3
SMILESOpenEye OEToolkits1.5.0COc1ccc(c(c1)C(=O)O)Nc2ccc(cc2)Oc3ccccc3
InChIInChI1.03InChI=1S/C20H17NO4/c1-24-17-11-12-19(18(13-17)20(22)23)21-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23)
InChIKeyInChI1.03YJRDHMUPONVWTE-UHFFFAOYSA-N

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건을2024-09-11부터공개중

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