M65

ethyl 7-imidazol-1-ylheptanoate

Created:	2019-10-03
Last modified:	2020-10-14

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2 entries where M65 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	5

2D diagram of M65

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Chemical Component Summary
Name	ethyl 7-imidazol-1-ylheptanoate
Systematic Name (OpenEye OEToolkits)	ethyl 7-imidazol-1-ylheptanoate
Formula	C₁₂ H₂₀ N₂ O₂
Molecular Weight	224.299
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCOC(=O)CCCCCCn1ccnc1
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)CCCCCCn1ccnc1
Canonical SMILES	CACTVS	3.385	CCOC(=O)CCCCCCn1ccnc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)CCCCCCn1ccnc1
InChI	InChI	1.03	InChI=1S/C12H20N2O2/c1-2-16-12(15)7-5-3-4-6-9-14-10-8-13-11-14/h8,10-11H,2-7,9H2,1H3
InChIKey	InChI	1.03	IGQBGUMGRVQYDB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	12870393

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.