DRY

[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID

Created:2006-08-09
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count70
Chiral Atom Count0
Bond Count74
Aromatic Bond Count27
2D diagram of DRY
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Chemical Component Summary

Name[(1-{3-[(6-BENZOYL-1-PROPYL-2-NAPHTHYL)OXY]PROPYL}-1H-INDOL-5-YL)OXY]ACETIC ACID
Synonyms{1-[3-(6-BENZOYL-1-PROPYLNAPHTHALEN-2-YLOXY)PROPYL]-1H-INDOL-5-YLOXY}-ACETIC ACID
Systematic Name (OpenEye OEToolkits)2-[1-[3-[6-(phenylcarbonyl)-1-propyl-naphthalen-2-yl]oxypropyl]indol-5-yl]oxyethanoic acid
FormulaC33 H31 N O5
Molecular Weight521.603
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1ccccc1)c5cc4ccc(OCCCn3c2ccc(OCC(=O)O)cc2cc3)c(c4cc5)CCC
SMILESCACTVS3.341CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc4cc(ccc14)C(=O)c5ccccc5
SMILESOpenEye OEToolkits1.5.0CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5
Canonical SMILESCACTVS3.341 CCCc1c(OCCCn2ccc3cc(OCC(O)=O)ccc23)ccc4cc(ccc14)C(=O)c5ccccc5
Canonical SMILESOpenEye OEToolkits1.5.0 CCCc1c2ccc(cc2ccc1OCCCn3ccc4c3ccc(c4)OCC(=O)O)C(=O)c5ccccc5
InChIInChI1.03 InChI=1S/C33H31NO5/c1-2-7-29-28-13-10-26(33(37)23-8-4-3-5-9-23)20-24(28)11-15-31(29)38-19-6-17-34-18-16-25-21-27(12-14-30(25)34)39-22-32(35)36/h3-5,8-16,18,20-21H,2,6-7,17,19,22H2,1H3,(H,35,36)
InChIKeyInChI1.03 CIJITCGUOBZSCP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL414868
PubChem 16090857
ChEMBL CHEMBL414868