W2Q

(2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid

Created:2023-04-26
Last modified:  2023-06-07

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count1
Bond Count58
Aromatic Bond Count12
2D diagram of W2Q

Chemical Component Summary

Name(2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid
FormulaC24 H26 O4
Molecular Weight378.461
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1[CH](OC5CC5)C(O)=O
SMILESOpenEye OEToolkits2.0.7Cc1ccc(c(c1C(C(=O)O)OC2CC2)c3ccc4c(c3)CCCO4)C5CC5
Canonical SMILESCACTVS3.385 Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1[C@H](OC5CC5)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1ccc(c(c1[C@@H](C(=O)O)OC2CC2)c3ccc4c(c3)CCCO4)C5CC5
InChIInChI1.06 InChI=1S/C24H26O4/c1-14-4-10-19(15-5-6-15)22(21(14)23(24(25)26)28-18-8-9-18)17-7-11-20-16(13-17)3-2-12-27-20/h4,7,10-11,13,15,18,23H,2-3,5-6,8-9,12H2,1H3,(H,25,26)/t23-/m0/s1
InChIKeyInChI1.06 IJYFYODKNOUTEK-QHCPKHFHSA-N

Related Resource References

Resource NameReference
PubChem 117780440