P09

2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid

Created:2011-06-27
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count0
Bond Count48
Aromatic Bond Count18
2D diagram of P09

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Chemical Component Summary

Name2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid
SynonymsBPH-1299
Systematic Name (OpenEye OEToolkits)2-[[4-(3,4-dimethylphenoxy)phenyl]carbamoyl]benzoic acid
FormulaC22 H19 N O4
Molecular Weight361.391
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)c1ccccc1C(=O)Nc3ccc(Oc2cc(c(cc2)C)C)cc3
SMILESCACTVS3.370Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)cc1C
SMILESOpenEye OEToolkits1.7.2Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O
Canonical SMILESCACTVS3.370 Cc1ccc(Oc2ccc(NC(=O)c3ccccc3C(O)=O)cc2)cc1C
Canonical SMILESOpenEye OEToolkits1.7.2 Cc1ccc(cc1C)Oc2ccc(cc2)NC(=O)c3ccccc3C(=O)O
InChIInChI1.03 InChI=1S/C22H19NO4/c1-14-7-10-18(13-15(14)2)27-17-11-8-16(9-12-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKeyInChI1.03 NZJZJKJPXZZEEC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 2831497