7TV

6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid

Created: 2016-12-06
Last modified:  2017-03-22

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Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count0
Bond Count71
Aromatic Bond Count17
2D diagram of 7TV
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Chemical Component Summary

Name6-[2-({cyclopentyl[4-(furan-2-yl)benzene-1-carbonyl]amino}methyl)phenoxy]hexanoic acid
Systematic Name (OpenEye OEToolkits)6-[2-[[cyclopentyl-[4-(furan-2-yl)phenyl]carbonyl-amino]methyl]phenoxy]hexanoic acid
FormulaC29 H33 N O5
Molecular Weight475.576
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c4c(CN(C1CCCC1)C(c2ccc(cc2)c3occc3)=O)c(OCCCCCC(=O)O)ccc4
SMILESCACTVS3.385OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc(cc3)c4occc4
SMILESOpenEye OEToolkits2.0.6c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O
Canonical SMILESCACTVS3.385 OC(=O)CCCCCOc1ccccc1CN(C2CCCC2)C(=O)c3ccc(cc3)c4occc4
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc(c(c1)CN(C2CCCC2)C(=O)c3ccc(cc3)c4ccco4)OCCCCCC(=O)O
InChIInChI1.03 InChI=1S/C29H33NO5/c31-28(32)14-2-1-7-19-34-27-12-6-3-9-24(27)21-30(25-10-4-5-11-25)29(33)23-17-15-22(16-18-23)26-13-8-20-35-26/h3,6,8-9,12-13,15-18,20,25H,1-2,4-5,7,10-11,14,19,21H2,(H,31,32)
InChIKeyInChI1.03 ACPRTHSTODRCJL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 86281299