CZT

(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol

Created:2017-12-13
Last modified:  2018-05-16

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count3
Bond Count65
Aromatic Bond Count6
2D diagram of CZT

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Chemical Component Summary

Name(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol
Systematic Name (OpenEye OEToolkits)(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol
FormulaC22 H34 N2 O5
Molecular Weight406.516
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385COc1ccc(C=NOC[CH](O)CN2C[CH](C)O[CH](C)C2)cc1OC3CCCC3
SMILESOpenEye OEToolkits2.0.6CC1CN(CC(O1)C)CC(CON=Cc2ccc(c(c2)OC3CCCC3)OC)O
Canonical SMILESCACTVS3.385 COc1ccc(\C=N\OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cc1OC3CCCC3
Canonical SMILESOpenEye OEToolkits2.0.6 C[C@@H]1CN(C[C@@H](O1)C)C[C@H](CO/N=C/c2ccc(c(c2)OC3CCCC3)OC)O
InChIInChI1.03 InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+/t16-,17+,19-/m1/s1
InChIKeyInChI1.03 QBFMCJASXXCKML-QJCGALALSA-N

Related Resource References

Resource NameReference
PubChem 133084114