B83

2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid


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Chemical Component Summary

Name2-[({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxyphenyl}carbonyl)amino]benzoic acid
Synonyms2-({4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-phenoxybenzoyl}amino)benzoic acid
Identifiers2-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-phenoxy-phenyl]carbonylamino]benzoic acid
FormulaC27 H28 N2 O4
Molecular Weight444.522
TypeNON-POLYMER
Isomeric SMILESC[C@@H]1C[C@@H](CN(C1)c2ccc(cc2Oc3ccccc3)C(=O)Nc4ccccc4C(=O)O)C
InChIInChI=1S/C27H28N2O4/c1-18-14-19(2)17-29(16-18)24-13-12-20(15-25(24)33-21-8-4-3-5-9-21)26(30)28-23-11-7-6-10-22(23)27(31)32/h3-13,15,18-19H,14,16-17H2,1-2H3,(H,28,30)(H,31,32)/t18-,19+
InChIKeyYMZMFFRGSWCLPY-KDURUIRLSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count2
Bond Count64
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 44176364