R4Q

(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid

Created:2020-09-01
Last modified:  2020-12-30

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count2
Bond Count57
Aromatic Bond Count12
2D diagram of R4Q

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)(3~{R})-1-[(2~{R})-2-[4-(2-chloranyl-4-fluoranyl-phenyl)-2-oxidanylidene-chromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
FormulaC24 H21 Cl F N O6
Molecular Weight473.878
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385C[CH](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[CH](C4)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C(=O)N1CCCC(C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F
Canonical SMILESCACTVS3.385 C[C@@H](Oc1ccc2c(OC(=O)C=C2c3ccc(F)cc3Cl)c1)C(=O)N4CCC[C@H](C4)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@H](C(=O)N1CCC[C@H](C1)C(=O)O)Oc2ccc3c(c2)OC(=O)C=C3c4ccc(cc4Cl)F
InChIInChI1.03 InChI=1S/C24H21ClFNO6/c1-13(23(29)27-8-2-3-14(12-27)24(30)31)32-16-5-7-18-19(11-22(28)33-21(18)10-16)17-6-4-15(26)9-20(17)25/h4-7,9-11,13-14H,2-3,8,12H2,1H3,(H,30,31)/t13-,14-/m1/s1
InChIKeyInChI1.03 PFEKWBKJUBCXDT-ZIAGYGMSSA-N

Related Resource References

Resource NameReference
PubChem 138490544