L19

3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid

Created:2015-08-12
Last modified:  2016-06-22

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count59
Aromatic Bond Count22
2D diagram of L19

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Chemical Component Summary

Name3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-1H-indol-1-yl]propanoic acid
Systematic Name (OpenEye OEToolkits)3-[5-cyclopropyl-3-(3-methoxypyridin-4-yl)-2-phenyl-indol-1-yl]propanoic acid
FormulaC26 H24 N2 O3
Molecular Weight412.48
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCn1c5c(c(c1c2ccccc2)c3c(cncc3)OC)cc(C4CC4)cc5
SMILESCACTVS3.385COc1cnccc1c2c3cc(ccc3n(CCC(O)=O)c2c4ccccc4)C5CC5
SMILESOpenEye OEToolkits1.9.2COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5
Canonical SMILESCACTVS3.385 COc1cnccc1c2c3cc(ccc3n(CCC(O)=O)c2c4ccccc4)C5CC5
Canonical SMILESOpenEye OEToolkits1.9.2 COc1cnccc1c2c3cc(ccc3n(c2c4ccccc4)CCC(=O)O)C5CC5
InChIInChI1.03 InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
InChIKeyInChI1.03 XQDGPJKJSHQJFB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3813892
PubChem 72722031
ChEMBL CHEMBL3813892