57Q

3-(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 Count35
Chiral Atom Count0
Bond Count37
Aromatic Bond Count16
2D diagram of 57Q

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Chemical Component Summary

Name3-(2-phenyl-1H-indol-1-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)3-(2-phenylindol-1-yl)propanoic acid
FormulaC17 H15 N O2
Molecular Weight265.306
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(CCn1c(cc2c1cccc2)c3ccccc3)O
SMILESCACTVS3.385OC(=O)CCn1c2ccccc2cc1c3ccccc3
SMILESOpenEye OEToolkits1.9.2c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O
Canonical SMILESCACTVS3.385 OC(=O)CCn1c2ccccc2cc1c3ccccc3
Canonical SMILESOpenEye OEToolkits1.9.2 c1ccc(cc1)c2cc3ccccc3n2CCC(=O)O
InChIInChI1.03 InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
InChIKeyInChI1.03 CPWLVJORIJEUHI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 803793
ChEMBL CHEMBL1586017