SQY

methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate

Created:	2020-03-11
Last modified:	2020-07-22

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1 entries where SQY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	12

2D diagram of SQY

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Chemical Component Summary
Name	methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
Systematic Name (OpenEye OEToolkits)	methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate
Formula	C₁₅ H₁₄ Br N O₂
Molecular Weight	320.181
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COC(=O)[CH](Cc1ccc(Br)cc1)c2ccncc2
SMILES	OpenEye OEToolkits	2.0.6	COC(=O)C(Cc1ccc(cc1)Br)c2ccncc2
Canonical SMILES	CACTVS	3.385	COC(=O)[C@H](Cc1ccc(Br)cc1)c2ccncc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	COC(=O)[C@H](Cc1ccc(cc1)Br)c2ccncc2
InChI	InChI	1.03	InChI=1S/C15H14BrNO2/c1-19-15(18)14(12-6-8-17-9-7-12)10-11-2-4-13(16)5-3-11/h2-9,14H,10H2,1H3/t14-/m1/s1
InChIKey	InChI	1.03	FZQHFNVUFKNKLS-CQSZACIVSA-N

Related Resource References

Resource Name	Reference
PubChem	146676937

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