8BE

4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide

Created:	2021-10-07
Last modified:	2022-08-22

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1 entries where 8BE is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	12

2D diagram of 8BE

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Chemical Component Summary
Name	4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide
Systematic Name (OpenEye OEToolkits)	4-[(3-bromophenyl)methoxy]-2-methoxy-benzamide
Formula	C₁₅ H₁₄ Br N O₃
Molecular Weight	336.181
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cc(OCc2cccc(Br)c2)ccc1C(N)=O
SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br
Canonical SMILES	CACTVS	3.385	COc1cc(OCc2cccc(Br)c2)ccc1C(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1cc(ccc1C(=O)N)OCc2cccc(c2)Br
InChI	InChI	1.06	InChI=1S/C15H14BrNO3/c1-19-14-8-12(5-6-13(14)15(17)18)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H2,17,18)
InChIKey	InChI	1.06	XLCVIUNLASFRSY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	163203934

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