EYY

3-(quinolin-2-yl)propanoic acid

Created:	2018-02-12
Last modified:	2018-02-28

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1 entries where EYY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	11

2D diagram of EYY

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Chemical Component Summary
Name	3-(quinolin-2-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-quinolin-2-ylpropanoic acid
Formula	C₁₂ H₁₁ N O₂
Molecular Weight	201.221
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(O)=O)Cc2ccc1ccccc1n2
SMILES	CACTVS	3.385	OC(=O)CCc1ccc2ccccc2n1
SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)ccc(n2)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCc1ccc2ccccc2n1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc2c(c1)ccc(n2)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H11NO2/c14-12(15)8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7-8H2,(H,14,15)
InChIKey	InChI	1.03	PBXJDATXARPDPW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	264313
ChEMBL	CHEMBL4218506

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